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We attain N-polar and Al-polar AlN thin films on Si(111) substrates by plasma-assisted molecular beam epitaxy. The polarity of AlN epilayers has been validated by wet chemical etching using tetramethylammonium hydroxide and by the direct cross-sectional observation of atomic stacking under high-angle annular dark-field scanning transmission electron microscopy. For the 290 nm-thick as-grown N-polar AlN epilayer, x-ray diffraction (XRD) (002) and (102) ω rocking curve peak full width half maximums (FWHMs) are 475 and 1177 arcsec, and the surface mean square roughness (RMS) is 0.30 nm. We flipped the polarity using the metal-flux-modulation-epitaxy (MME) strategy. The MME strategy promotes anti-phase boundaries (APBs) on the { 2 2 ¯ 01 } crystalline planes instead of commonly observed lateral planar APBs in AlN epilayers. Merging of the tilted APBs at ∼50 nm leads to a complete Al-polar surface. For the 180 nm-thick Al-polar AlN epilayer, XRD (002) and (102) peak FWHMs are 1505 and 2380 arcsec, and the surface RMS is 1.41 nm. Strain analysis by XRD and Raman spectroscopy indicates a uniform tensile strain of 0.160% across the N-polar AlN epilayer surface and a strain distribution of 0.113%–1.16% through the epilayer. In contrast, the Al-polar AlN epilayer exhibits a much broader tensile strain distribution of 0.482%–2.406% along the growth direction, potentially due to the interaction of polarity inversion and strain relaxation. [ABSTRACT FROM AUTHOR]

Hafnium diboride (HfB2) is a promising candidate as a seed layer for GaN growth on Si substrates due to its excellent lattice and thermal coefficients matching with both materials. This work investigates the epitaxial growth of AlB2-type non-stoichiometric HfB2 (HfB2+δ with −0.1 < δ < 0.6) thin films on Si(111) using magnetron co-sputtering. We demonstrated that the process temperature significantly affected the surface roughness (RRMS ∼ 0.5–4 nm), film composition, and the nucleation of secondary impurity phases. Films deposited between 700 and 900 °C exhibit epitaxial growth on the Si substrate with a well-defined relationship of (0001) HfB 2 ‖ (111) Si and [ 11 2 ¯ 0 ] HfB 2 ‖ [ 1 1 ¯ 0 ] Si . Detailed x-ray diffraction and scanning transmission electron microscopy analyses reveal that impurity phases detected at high temperatures are primarily carbon-rich phases, identified as HfCx or HfCxBy. Interestingly, this secondary phase's crystal orientation follows the orientation of its surroundings. The different findings in terms of contamination (C and O) and deposition temperature offer valuable insights for further growth optimizing of high-quality epitaxial HfB2 thin films on Si(111) for future GaN-on-Si integration. [ABSTRACT FROM AUTHOR]

Ag-induced crystallization and layer exchange (AgILE) in a stack of amorphous Si/Ag/quartz substrate has been investigated using optical microscopy, scanning electron microscopy, transmission electron microscopy (TEM), scanning TEM-high angle annular dark field (STEM-HAADF) imaging, and electron tomography, covering length scales from a few tens of micrometers to a few tens of nanometers. The size of Ag grains in the underlying as-deposited Ag film varied from ∼10 to 500 nm. The following processes could be discerned using in situ heating of plan-view samples at 500 °C in STEM: (i) AgILE propagation preferentially along regions of small Ag grains, (ii) formation of pushed-up Ag in the vicinity of AgILE reaction cells, (iii) migration and agglomeration of pushed-up Ag on small and large Ag grains, which tend to inhibit AgILE and promote dendricity, and (iv) dispersion of pushed-up Ag, which tend to reduce dendricity. The resulting dendricity was largely confined to the peripheral regions of the impinging reaction cells and decreased with annealing time. In contrast, dendricity due to AgILE and crystallization at 550 °C is stable and extends right from the center to the periphery of the reaction cells. The microscopic mechanism of AgILE and, in particular, the effect of annealing temperature is investigated. The results are discussed in the light of existing literature and compared with Al-induced layer exchange. Annealing at temperature equal to or slightly less than 500 °C is found to be necessary in the case of AgILE to avoid dendricity and to obtain a continuous Si layer with large Si grains. [ABSTRACT FROM AUTHOR]

Achieving high material perfection in aluminum (Al) films and their associated Al/AlOx heterostructures is essential for enhancing the coherence time in superconducting quantum circuits. We grew Al films with thicknesses ranging from 3 to 30 nanometers (nm) epitaxially on sapphire substrates using molecular beam epitaxy (MBE). An integral aspect of our work involved electron-beam (e-beam) evaporation to directly deposit aluminum oxide (Al2O3) films on the freshly grown ultrathin epitaxial Al films in an ultra-high-vacuum (UHV) environment. This in situ oxide deposition is critical for preventing the oxidation of parts of the Al films, avoiding the formation of undesired native oxides, and thereby preserving the nm-thick Al films in their pristine conditions. The thicknesses of our Al films in the study were accurately determined; for example, coherence lengths of 3.0 and 20.2 nm were measured in the nominal 3.0 and 20 nm thick Al films, respectively. These Al films were epitaxially grown on sapphire substrates, showing an orientational relationship, denoted as Al (111) ⟨ 2 1 ¯ 1 ¯ ⟩ ∥ sapphire (0001) [ 2 1 ¯ 1 ¯ 0 ]. The Al/sapphire interface was atomically ordered without any interfacial layers, as confirmed by in situ reflection high-energy electron diffraction (RHEED) and cross-sectional scanning transmission electron microscopy (STEM). All sample surfaces exhibited smoothness with a roughness in the range of 0.1–0.2 nm. The Al films are superconducting with critical temperatures ranging from 1.23 to around 2 K, depending on the film thickness. [ABSTRACT FROM AUTHOR]

Bragg interferometry (BI) is an imaging technique based on four-dimensional scanning transmission electron microscopy (4D-STEM) wherein the intensities of select overlapping Bragg disks are fit or more qualitatively analyzed in the context of simple trigonometric equations to determine local stacking order. In 4D-STEM based approaches, the collection of full diffraction patterns at each real-space position of the scanning probe allows the use of precise virtual apertures much smaller and more variable in shape than those used in conventional dark field imaging such that even buried interfaces marginally twisted from other layers can be targeted. With a coarse-grained form of dark field ptychography, BI uses simple physically derived fitting functions to extract the average structure within the illumination region and is, therefore, viable over large fields of view. BI has shown a particular advantage for selectively investigating the interlayer stacking and associated moiré reconstruction of bilayer interfaces within complex multi-layered structures. This has enabled investigation of reconstruction and substrate effects in bilayers through encapsulating hexagonal boron nitride and of select bilayer interfaces within trilayer stacks. However, the technique can be improved to provide a greater spatial resolution and probe a wider range of twisted structures, for which current limitations on acquisition parameters can lead to large illumination regions and the computationally involved post-processing can fail. Here, we analyze these limitations and the computational processing in greater depth, presenting a few methods for improvement over previous works, discussing potential areas for further expansion, and illustrating the current capabilities of this approach for extracting moiré-scale strain. [ABSTRACT FROM AUTHOR]

An area-selectable Mg doping via ion implantation (I/I) is essential to realize gallium nitride (GaN) based power switching devices. Conventional post-implantation annealing forms considerable defects in the GaN, resulting in extremely low activation efficiency. The recent invention of ultrahigh-pressure annealing (UHPA) has substantially improved the p-type activation efficiency; however, the UHPA causes an unexpected Mg diffusion. Thus, both annealing processes resulted in a much lower Mg concentration in the GaN matrix than the Mg dose. In this study, the effect of a sequential N I/I for p-type Mg-implanted GaN was investigated by the correlative cathodoluminescence, transfer length method, scanning transmission electron microscopy, and atom probe tomography (APT) analyses. APT results have revealed that the sequential N I/I can successfully maintain the Mg concentration in the GaN matrix in the higher range of 1018 cm−3 or more. Our investigation suggests that sequential N I/I is a promising technique to maintain the Mg concentration higher and improve the p-type activation efficiency. [ABSTRACT FROM AUTHOR]

Dislocations have been proposed to affect the performance and reliability of GaN power semiconductors by being conductive pathways for leakage current. However, no direct evidence of a link between their electrical behavior and physical nature in carbon-doped semi-insulating GaN buffer layers has been obtained. Therefore, we investigate the electrical activity of dislocations by conductive atomic force microscopy and electron beam induced current to distinguish electrically active dislocations from non-active ones. We investigated six electrically active dislocations and discovered distinct carbon enrichment in the vicinity of all six dislocations, based on cross-sectional scanning transmission electron microscopy using electron energy loss spectrometry. Electrically non-active dislocations, which are the vast majority, sometimes also showed carbon enrichment, however, in only two out of seven cases. Consequently, carbon segregation seems to be a requirement for electrical activity, but a carbon surplus is not sufficient for electrical activity. We also performed first-principles total-energy calculations for mixed type threading dislocations, which validates carbon accumulation in the dislocation vicinity. The electrical and physical characterization results, complemented by density functional theory simulations, support the previously hypothesized existence of a carbon defect band and add new details. [ABSTRACT FROM AUTHOR]

Conductive-bridge random access memory can be used as a physical reservoir for temporal learning in reservoir computing owing to its volatile nature. Herein, a scaled Cu/HfOx/n+-Si memristor was fabricated and characterized for reservoir computing. The scaled, silicon nanofin bottom electrode formation is verified by scanning electron and transmission electron microscopy. The scaled device shows better cycle-to-cycle switching variability characteristics compared with those of large-sized cells. In addition, synaptic characteristics such as conductance changes due to pulses, paired-pulse facilitation, and excitatory postsynaptic currents are confirmed in the scaled memristor. High-pattern accuracy is demonstrated by deep neural networks applied in neuromorphic systems in conjunction with the use of the Modified National Institute of Standards and Technology database. Furthermore, a reservoir computing system is introduced with six different states attained by adjusting the amplitude of the input pulse. Finally, high-performance and efficient volatile reservoir computing in the scaled device is demonstrated by conductance control and system-level reservoir computing simulations. [ABSTRACT FROM AUTHOR]

This study explores the effect of molecular permanent dipole moment (PDM) on aggregation of guest molecules in phosphorescent host–guest organic light-emitting diodes (OLEDs). Through a combination of photoluminescence measurements, high-angle annular dark-field scanning transmission electron microscopy analysis, and an Ising model based physical vapor-deposition simulation, we show that higher PDM of tris[2-phenylpyridinato-C2,N]iridium(III) guest can actually lead to a reduced aggregation relative to tris[bis[2-(2-pyridinyl-N)phenyl-C] (acetylacetonato)iridium(III) when doped into a non-polar host 1,3,5-tris(carbazol-9-yl)benzene. This study further explores the effect of host polarity by using a polar host 3′,5′-di(carbazol-9-yl)-[1,1′-biphenyl]-3,5-dicarbonitrile, and it is shown that the polar host leads to reduced guest aggregation. This study provides a comprehensive understanding of the impact of molecular PDM on OLED material efficiency and stability, providing insights for optimizing phosphorescent OLED materials. [ABSTRACT FROM AUTHOR]

Energy-dispersive x-ray spectroscopy and high-angle annular dark-field in a Cs-corrected scanning transmission electron microscope are employed to characterize the atomic-scale strain distribution in the active region of the InAs-based interband cascade laser. For the first time, energy-dispersive x-ray spectroscopy is utilized for the quantitative calculation of the zero-strain region, by which the geometric phase analysis of high-angle annular dark-field imaging has been carried out. The strain distribution of the active region with high accuracy has been obtained. The analysis of the out-of-plane strain shows that the active region in the InAs-based interband cascade laser is strain-compensated, while a certain degree of elemental intermixing still exists in the active region. This detailed strain distribution can provide valuable insights into the optimization of the growth conditions for the active region such as growth temperature, V/III flux ratio, and growth process to minimize the elemental intermixing and obtain a better performance interface while maintaining the strain-compensated state. [ABSTRACT FROM AUTHOR]

Domain boundaries in perovskite oxides often exhibit abundant physical properties and phenomena. Here, epitaxial LaTiO3 thin films on (100) SrTiO3 substrates are prepared by pulsed-laser deposition. X-ray diffraction and transmission electron microscopy investigations reveal that the epitaxial LaTiO3 thin films have good crystallinity but a high density of domain boundaries. Atomic-scale scanning transmission electron microscopy observations reveal that two types of domain boundaries are formed in the LaTiO3 thin films. The type I domain boundaries are formed on the {100} crystal planes, while the type II domain boundaries on the {110} crystal planes. Electron energy-loss spectroscopy analyses suggest that the valence states of Ti ions at the type I domain boundaries are +3, while those at the type II domain boundaries are +4. First-principles calculations reveal that the bandgap decreases at both domain boundaries compared to the bulk. The carrier concentration at the type I domain boundaries is significantly higher than that of the bulk, while the carrier concentration at the type II domain boundaries is lower. These findings suggest that domain boundaries play an important role in tailoring the electrical properties of the LaTiO3 thin films, thereby promoting the potential applications and property modulation of related materials and devices. [ABSTRACT FROM AUTHOR]

We report on the magnetic coupling behavior in all-ferromagnetic La0.7Sr0.3MnO3/SrRuO3 (LSMO/SRO) heterostructures deposited on the SrTiO3 (111) substrate, where the interface leads to an enhanced exchange field as compared to the one deposited on SrTiO3 (001). Importantly, high-resolution scanning transmission electron microscopy reveals distinct interface structures of the (111) heterostructures depending on the growth sequence. The heterostructure with an SRO bottom layer shows an atomically flat and abrupt interface, while the one with an LSMO bottom layer shows a deformed interface due to the surface roughening of LSMO deposited directly on SrTiO3 (111). As a result, the heterostructure with an abrupt interface exhibits a robust antiferromagnetic coupling between LSMO and SRO, while the one with a rough interface shows negligible magnetic coupling. Our results demonstrate the key role of an abrupt interface in determining the magnetic properties of oxide heterostructures. [ABSTRACT FROM AUTHOR]

MnO(001) thin films were grown on commercial MgO(001) substrates at 520 °C by reactive molecular beam epitaxy (MBE) using Mn vapor and O2-seeded supersonic molecular beams (SMBs) both with and without radio frequency (RF) plasma excitation. For comparison, MnO(001) films were grown by reactive MBE using O2 from a leak valve. X-ray photoelectron spectroscopy confirmed the Mn2+ oxidation state and 10%–15% excess oxygen near the growth surface. Reflection high-energy electron diffraction and x-ray diffraction evidenced that the films were rock salt cubic MnO with very strong (001) orientation. High-angle annular dark field scanning transmission electron microscopy with energy-dispersive x-ray spectroscopy demonstrated abrupt MnO/MgO interfaces and indicated [(001)MnO||(001)MgO] epitaxial growth. Ex situ atomic force microscopy of films deposited without RF excitation revealed smooth growth surfaces. An SMB-grown MnO(001) film was converted to Mn3O4 with strong (110) orientation by post-growth exposure to an RF-discharge (RFD) SMB source providing O atoms; the surface of the resultant film contained elongated pits aligned with the MgO 110 directions. In contrast, using the RFD-SMB source for growth resulted in MnO(001) films with elongated growth pits and square pyramidal hillocks aligned along the MgO 110 and 100 directions, respectively. [ABSTRACT FROM AUTHOR]

A unique on-chip method for the direct correlation of optical properties, with atomic-scale chemical–structural characteristics for a single quantum dot (QD), is developed and utilized in various examples. This is based on performing single QD optical characterization on a modified glass substrate, followed by the extraction of the relevant region of interest by focused-ion-beam–scanning electron microscope processing into a lamella for high resolution scanning transmission electron microscopy (STEM) characterization with atomic scale resolution. The direct correlation of the optical response under an electric field with STEM analysis of the same particle allows addressing several single particle phenomena: first, the direct correlation of single QD photoluminescence (PL) polarization and its response to the external field with the QD crystal lattice alignment, so far inferred indirectly; second, the identification of unique yet rare few-QD assemblies, correlated directly with their special spectroscopic optical characteristics, serving as a guide for future designed assemblies; and third, the study on the effect of metal island growth on the PL behavior of hybrid semiconductor–metal nanoparticles, with relevance for their possible functionality in photocatalysis. This work, therefore, establishes the use of the direct on-chip optical–structural correlation method for numerous scenarios and timely questions in the field of QD research. [ABSTRACT FROM AUTHOR]

This paper explores the fundamental structural origins of the 0.7 eV band emission peak, known as D07. The increased attention on these d-band emission lines originates mainly from the correlation between crystal defect and the intensified recombination of less dominant charge carriers. This association holds substantial importance, impacting not just the electronics sector but also raising concerns about reduced efficiency in silicon solar cells. By employing hyperspectral photoluminescence imaging, we pinpointed regions manifesting high D07 peak emissions on a microscopic scale. Subsequently, we conducted a structural investigation utilizing scanning electron microscopy and electron backscatter diffraction. Following this, we used a focused ion beam to extract areas of interest, allowing for a detailed characterization of the sample using high-resolution scanning transmission electron microscopy at the atomic scale. This approach aids in identifying defects and determining grain boundary orientation. In areas of high D07 band emission, we found Σ 3 { 114 } { 101 } grain boundaries decorated with two-layer fault twin and/or an extrinsic two-layer stacking faults. In addition, density functional theory calculations suggest oxygen impurities as a possibility for substitutional segregation to these types of defects. It is therefore plausible that the D07 line might be attributed to stacking faults featuring oxygen agglomerates. [ABSTRACT FROM AUTHOR]

For two-dimensional (2D) materials, the exact thickness of the material often dictates its physical and chemical properties. The 2D quantum material WTe2 possesses properties that vary significantly from a single layer to multiple layers, yet it has a complicated crystal structure that makes it difficult to differentiate thicknesses in atomic-resolution images. Furthermore, its air sensitivity and susceptibility to electron beam-induced damage heighten the need for direct ways to determine the thickness and atomic structure without acquiring multiple measurements or transferring samples in ambient atmosphere. Here, we demonstrate a new method to identify the thickness up to ten van der Waals layers in Td-WTe2 using atomic-resolution high-angle annular dark-field scanning transmission electron microscopy image simulation. Our approach is based on analyzing the intensity line profiles of overlapping atomic columns and building a standard neural network model from the line profile features. We observe that it is possible to clearly distinguish between even and odd thicknesses (up to seven layers), without using machine learning, by comparing the deconvoluted peak intensity ratios or the area ratios. The standard neural network model trained on the line profile features allows thicknesses to be distinguished up to ten layers and exhibits an accuracy of up to 94% in the presence of Gaussian and Poisson noise. This method efficiently quantifies thicknesses in Td-WTe2, can be extended to related 2D materials, and provides a pathway to characterize precise atomic structures, including local thickness variations and atomic defects, for few-layer 2D materials with overlapping atomic column positions. [ABSTRACT FROM AUTHOR]

Optimizing thermal anneals of Si-implanted β-Ga2O3 is critical for low resistance contacts and selective area doping. We report the impact of annealing ambient, temperature, and time on the activation of room temperature ion-implanted Si in β-Ga2O3 at concentrations from 5 × 1018 to 1 × 1020 cm−3, demonstrating full activation (>80% activation, mobilities >70 cm2/V s) with contact resistances below 0.29 Ω mm. Homoepitaxial β-Ga2O3 films, grown by plasma-assisted molecular beam epitaxy on Fe-doped (010) substrates, were implanted at multiple energies to yield 100 nm box profiles of 5 × 1018, 5 × 1019, and 1 × 1020 cm−3. Anneals were performed in an ultra-high vacuum-compatible quartz furnace at 1 bar with well-controlled gas compositions. To maintain β-Ga2O3 stability, pO2 must be greater than 10−9 bar. Anneals up to pO2 = 1 bar achieve full activation at 5 × 1018 cm−3, while 5 × 1019 cm−3 must be annealed with pO2 ≤ 10−4 bar, and 1 × 1020 cm−3 requires pO2 < 10−6 bar. Water vapor prevents activation and must be maintained below 10−8 bar. Activation is achieved for anneal temperatures as low as 850 °C with mobility increasing with anneal temperatures up to 1050 °C, though Si diffusion has been reported above 950 °C. At 950 °C, activation is maximized between 5 and 20 min with longer times resulting in decreased carrier activation (over-annealing). This over-annealing is significant for concentrations above 5 × 1019 cm−3 and occurs rapidly at 1 × 1020 cm−3. Rutherford backscattering spectrometry (channeling) suggests that damage recovery is seeded from remnant aligned β-Ga2O3 that remains after implantation; this conclusion is also supported by scanning transmission electron microscopy showing retention of the β-phase with inclusions that resemble the γ-phase. [ABSTRACT FROM AUTHOR]

We study epitaxial growth, crystal structures, and magnetic properties of Fe–As compound thin films grown on GaAs (111)B substrates at various values of the As4:Fe flux ratio γ, using molecular beam epitaxy. The samples grown at low As4 flux (γ = 0.3, sample A) show mainly a body-centered-cubic (bcc) crystal structure, exhibiting ferromagnetic properties similar to bcc Fe. Meanwhile, the Fe–As samples grown at medium γ (2.7–4.5, sample group B) comprise regions of Ni2In-type FeAs (a hexagonal crystal with lattice constants of a = 0.399 nm and c = 0.536 nm), which are grown at the bottom and interface with the GaAs buffer layer, and a layer of non-stoichiometric FeAs with a DO3 structure (a = 0.522 nm) formed on the top. The DO3-structure FeAs phase contains partially transformed regions, which are characterized by thin stripes in a scanning transmission electron microscopy image. Furthermore, in the sample grown with high γ = 8.5 (sample C), a hexagonal Fe–As crystal with a large in-plane lattice constant (a = 0.691 nm and c = 0.542 nm) and threefold screw axes are observed. None of these crystal structures of Fe–As compounds has ever been reported. While sample C shows no ferromagnetism, the samples in group B exhibit strong ferromagnetism with high Curie temperature TC above 400 K. These new ferromagnetic Fe–As compounds are promising for spintronic device applications. [ABSTRACT FROM AUTHOR]

Load-dependent and angle-dependent nanoindentation tests were performed on a ( 2 ¯ 01) -oriented single-crystal β-Ga2O3 substrate to study the mechanical properties of the material. The anisotropy of the mechanical properties was examined, especially with regard to the dependence of the elastic modulus (E), hardness (H), and form of plastic deformation on the rotation angle of a Berkovich indenter with respect to the monoclinic structure. E reached a maximum value and H a minimum value when the sample was rotated to such an angle that one of the three facets of the Berkovich indenter was parallel to the [010] direction. To compare our experimental results with the theoretical calculation based on the monoclinic structure, the elastic surface of β-Ga2O3 was calculated using fourth-rank stiffness and compliance tensors and visualized in three-dimensional space. Two-dimensional sectional maps of the elastic surface were obtained for a range of crystal planes, and good agreement was obtained between the experimental observations and calculations. Plastic deformation at the indenter impressions was evaluated using scanning and transmission electron microscopy, and dislocations, cleavage, and cracks were observed. Their structure and density depended on the rotation angle. Our results clearly show a strong anisotropy of the mechanical properties of β-Ga2O3, which is very different from what is found in other compound semiconductors for power-device applications, such as GaN and 4H-SiC. This emphasizes the importance of customizing the machining process for β-Ga2O3, rather than simply using "machining recipes" for other materials. [ABSTRACT FROM AUTHOR]

GeSnC alloys offer a route to direct bandgap semiconductors for CMOS-compatible lasers, but the use of CBr4 as a carbon source was shown to reduce Sn incorporation by 83%–92%. We report on the role of thermally cracked H in increasing Sn incorporation by 6x–9.5x, restoring up to 71% of the lost Sn, and attribute this increase to removal of Br from the growth surface as HBr prior to formation of volatile groups such as SnBr4. Furthermore, as the H flux is increased, Rutherford backscattering spectroscopy reveals a monotonic increase in both Sn and carbon incorporation. X-ray diffraction reveals tensile-strained films that are pseudomorphic with the substrate. Raman spectroscopy suggests substitutional C incorporation; both x-ray photoelectron spectroscopy and Raman suggest a lack of graphitic carbon or its other phases. For the lowest growth temperatures, scanning transmission electron microscopy reveals nanovoids that may account for the low Sn substitutional fraction in those layers. Conversely, the sample grown at high temperatures displayed abrupt interfaces, notably devoid of any voids, tin, or carbon-rich clusters. Finally, the surface roughness decreases with increasing growth temperature. These results show that atomic hydrogen provides a highly promising route to increase both Sn and C to achieve a strongly direct bandgap for optical gain and active silicon photonics. [ABSTRACT FROM AUTHOR]

High quality, uni-polar, epitaxial AlN with minimum oxygen content promises excellent surface acoustic wave and bulk acoustic wave resonator characteristics such as high electromechanical coupling coefficient and power handling capabilities, which is particularly useful for RF filter applications. By systematically varying the growth temperature, the study investigates its impact on the oxygen levels, defect states, and crystallographic texture of the AlN thin films using a combination of atomic force microscopy, X-ray diffraction, time-of-flight secondary ion mass spectrometry, spectroscopic ellipsometry, scanning transmission electron microscopy, as well as room temperature and temperature dependent I–V measurements. The research demonstrates that the films grown at a temperature of 700 ° C exhibit the most favorable results. These films exhibit the lowest oxygen levels, possess epitaxial growth, and display the highest crystalline quality (XRD AlN 0002 ω − FWHM = 1.3 °). Additionally, these films demonstrate a significant reduction in sub-bandgap absorption. By comparing the cathode current measured during deposition, we suggest that the presence of an impurity layer formed during idle time between depositions as a possible source of oxygen in the sputter chamber. In addition, the study presents a possible model to explain the mixed polarity observed in AlN and proposes various ways to achieve uni-polar AlN on silicon substrates. [ABSTRACT FROM AUTHOR]

Here, we describe a fully in situ method of fabricating light-scattering structures on III-V materials that generates a rough morphology via vapor phase etching and redeposition. Fully in situ methods support higher industrial throughput by utilizing the growth reactor to generate the light-trapping structures after device growth without removal from the reactor. We use HCl and PH3 to etch and redeposit scattering morphologies on Ga0.5In0.5P in a dynamic hydride vapor phase epitaxy (D-HVPE) reactor. We show that the addition of PH3 leads to redeposition during the vapor phase HCl etching of Ga0.5In0.5P and that HCl flow rate and time exposed to HCl-PH3 each independently cause a linear increase in the redeposited feature size, indicating that redeposition proceeds by island growth in a III-Cl-limited, hydride-enhanced HVPE regime. Auger electron spectroscopy and scanning transmission electron microscopy with energy dispersive spectroscopy (STEM-EDS) reveal redeposition to be highly Ga-rich GaInP, i.e., Ga(In)P. The Ga-rich nature of the redeposition results from the higher thermodynamic driving force for Ga incorporation than for In during HVPE growth and the difference in the volatility of the III-Cl etch products. The resulting morphologies have high broadband scattering, as determined by normal specular reflectance and integrating sphere measurements, indicating effectiveness as light-scattering structures. In a 270-nm-thick GaAs photovoltaic device with a textured back surface, we achieve a 4.9% increase in short circuit current density (JSC) without any loss in open-circuit voltage (VOC) relative to a planar control using only a 60 s in situ texturing treatment. [ABSTRACT FROM AUTHOR]

We have epitaxially stabilized a series of monoclinic (AlxGa1−x−yIny)2O3 alloys by careful choice of molecular beam epitaxy growth conditions, which balance alloy growth with suboxide desorption. The films are pseudomorphic to (010) β-Ga2O3 substrates at thicknesses up to 150 nm with compositions ranging from (Al0.01Ga0.83In0.16)2O3 to (Al0.24Ga0.75In0.03)2O3. The absorption edge shifts from approximately 4.62–5.14 eV with coincidently increasing Al and decreasing In mole fractions. J–V measurements reveal an increase in resistivity over four orders of magnitude with a maximum value of 4.2 × 105 Ω-cm for (Al0.17Ga0.76In0.07)2O3, which has nearly identical lattice parameters (both in-plane and out-of-plane) to the underlying β-Ga2O3. Scanning transmission electron microscopy of this sample reveals a mostly uniform and single crystalline film, though we identify areas of non-uniform In incorporation and some γ-phase inclusions. This work demonstrates the feasibility of thick layers lattice-matched to β-Ga2O3 with increased bandgap compared to phase-separation limited (Al,Ga)2O3. These alloys can enable higher bandgap epitaxial dielectrics and high sheet charge density transistors by increasing the conduction band offset with respect to β-Ga2O3. [ABSTRACT FROM AUTHOR]

The structure and electron emission properties of scanning tunneling microscope tips electrochemically etched from polycrystalline and recrystallized tungsten wires were investigated using scanning electron microscopy and transmission electron microscopy. Tips etched using the recrystallized wire had single crystal domains larger than those seen in tips etched from the cold drawn wire. The stability of the tips under high electric fields was investigated using field emission. It was found that tips etched from the recrystallized wire tended to have improved stability compared to those etched from the polycrystalline wire and that annealing either type of tip to high temperature in ultra-high vacuum had the greater influence on tip stability. [ABSTRACT FROM AUTHOR]

Scanning Transmission Electron Microscopy (STEM) coupled with Electron Energy Loss Spectroscopy (EELS) presents a powerful platform for detailed material characterization via rich imaging and spectroscopic data. Modern electron microscopes can access multiple length scales and sampling rates far beyond human perception and reaction time. Recent advancements in machine learning (ML) offer a promising avenue to enhance these capabilities by integrating ML algorithms into the STEM-EELS framework, fostering an environment of active learning. This work enables the seamless integration of STEM with High-Performance Computing (HPC) systems. This integration is facilitated by our developed server software, written in Python, which acts as a wrapper over DigitalMicrograph (version 3.5) hardware modules to enable remote computer interactions. We present several implemented workflows that exemplify this integration. These workflows include sophisticated techniques such as object finding and deep kernel learning. Through these developments, we demonstrate how the fusion of STEM-EELS with ML and HPC enhances the efficiency and scope of material characterization for all of STEM available globally having Gatan, Inc. image filter installed on them. The codes are available on GitHub. [ABSTRACT FROM AUTHOR]

We report the structural feature of sputter-deposited epitaxial [Co (0.2 nm)/Pt (0.2–1.0 nm)] multilayered films prepared with various periodic structural designs consisting of non-integer numbers of Co and Pt monoatomic layers on an atomically flat Ru(0001). Sharp superlattice modulation peaks and their systematic changes with the Pt thicknesses were observed in the x-ray diffraction (XRD) spectrum. The formation of periodic structures shows that layer-by-layer like growth occurs and the resulting incommensurate superlattice modulation survives down to an atomic scale even in the sputter-deposited Co/Pt multilayers. Magnetic properties were also investigated for the Co/Pt multilayers. Interestingly, the maximum perpendicular magnetic anisotropy Ku of 3 × 106 erg/cm3 was obtained for the [Co (0.2 nm)/Pt (0.3 nm)] multilayer exhibiting incommensurate superlattice modulation peaks, while the [Co (0.2 nm)/Pt (0.2 nm)] multilayer with a L11-like XRD peak showed a smaller Ku. A cross-sectional high-angle annular dark-field scanning transmission electron microscopy analysis revealed that a partially L11-ordered CoPt structure is formed in the [Co 0.2 nm/Pt 0.2 nm] multilayer, interpreting the observed Ku. This study gives a new insight into the structural feature of sputter-deposited Co/Pt multilayers useful for a wide range of spintronic devices, such as magnetic tunnel junctions. [ABSTRACT FROM AUTHOR]

Ga2O3 unipolar devices are of high interest due to their ∼8 MV/cm predicted breakdown fields, which have not yet been achieved due to premature device failure. Pre- and post-failure defect analysis of Ni–Ga2O3 Schottky diodes in ultrahigh vacuum (UHV) and air were performed using depth-resolved cathodoluminescence, high angle annular dark field scanning transmission electron microscopy, and energy dispersive x-ray analysis to understand the physical mechanisms that precede premature breakdown. The breakdown voltage in UHV was dramatically reduced by nearly 40% compared with the breakdown in air. This reduction in the breakdown voltage correlated with post-breakdown differences in Ni distribution, indicating that the coordination and bonding of Ni contribute strongly to electrical behavior in Ni–Ga2O3 Schottky diodes. Breakdown studies in UHV revealed that Ni diffuses away more from the metal–semiconductor interface than with air breakdown, where Ni localizes more near the interface, indicative of the preferential formation of a Ni oxide under O-poor conditions. These measurements also identified the formation of divacancy-interstitial complexes and their characteristic luminescence signature ∼150 nm from the interface, the densities of which correlated with breakdown fields. These findings show that electric-field-induced degradation occurs via the rearrangement of native point defects, which act as an additional precursor to device failure. Macroscopically, they show the impact of both vacuum conditions and metal reactivity on Ga2O3 device fabrication. [ABSTRACT FROM AUTHOR]

AlScN is a new wide bandgap, high-k, ferroelectric material for radio frequency (RF), memory, and power applications. Successful integration of high-quality AlScN with GaN in epitaxial layer stacks depends strongly on the ability to control lattice parameters and surface or interface through growth. This study investigates the molecular beam epitaxy growth and transport properties of AlScN/GaN multilayer heterostructures. Single-layer Al1−xScxN/GaN heterostructures exhibited lattice-matched composition within x = 0.09–0.11 using substrate (thermocouple) growth temperatures between 330 and 630 °C. By targeting the lattice-matched Sc composition, pseudomorphic AlScN/GaN multilayer structures with ten and twenty periods were achieved, exhibiting excellent structural and interface properties as confirmed by x-ray diffraction (XRD) and scanning transmission electron microscopy (STEM). These multilayer heterostructures exhibited substantial polarization-induced net mobile charge densities of up to 8.24 × 1014/cm2 for twenty channels. The sheet density scales with the number of AlScN/GaN periods. By identifying lattice-matched growth condition and using it to generate multiple conductive channels, this work enhances our understanding of the AlScN/GaN material platform. [ABSTRACT FROM AUTHOR]

Ultra-thin high-Al content barrier layers can enable improved gate control and high-frequency operation of AlGaN/GaN high electron mobility transistors (HEMTs) but the precise composition control is very challenging. In this work, we investigate the compositional profiles of AlxGa1−xN/GaN HEMT structures with targeted Al content in the barrier layer, x = 0.50, 0.70, and 1, and thickness in the sub-10 nm range in correlation with the two-dimensional electron gas (2DEG) properties. The HEMT structures are grown by metal-organic chemical vapor deposition on SiC. The maximum Al content in the barrier layer, experimentally determined by scanning transmission electron microscopy combined with energy-dispersive x-ray spectroscopy, is found to be lower than that intended and the deviations from the designed structures increase progressively with increasing x. Compositionally sharp interface between GaN and Al0.46Ga0.54N and box-like Al profile is achieved for intended x ∼ 0.50 while pronounced Al grading is found in the samples with intended x of 0.70 and 1, with a maximum Al content of 0.78 reached for the HEMT structure with intended AlN barrier layer. The impact of the experimentally determined Al profiles on the 2DEG properties, obtained by contactless and electrical Hall effect measurements and coupled with self-consistent solution of the Poisson–Schrödinger equation, is evaluated and discussed. It is shown that the observed deviations from the intended Al profiles have a negative effect on the 2DEG confinement and result in reduced mobility parameters, which have significant implications for the implementation of high-Al content AlGaN/GaN structures in high-frequency devices. [ABSTRACT FROM AUTHOR]

We have developed and optimized a method to grow ruthenium films of unprecedented quality. Our three-step process is reminiscent of solid-phase epitaxy. First, c-cut sapphire substrates are terminated at their Al-rich √31 × √31R ± 9° reconstruction by in situ annealing. Second, 3D structured epitaxial Ru films are deposited at low temperatures by laser evaporation of Ru rods. Third, the films, thus, obtained are epitaxially transformed by high-temperature annealing. X-ray diffraction studies reveal good crystallinity of the obtained 15–60 nm-thick films: peak widths of the rocking curve are one order of magnitude smaller than those of the best published films. Scanning transmission electron microscopy and electron energy loss studies show that the interface between the sapphire substrates and the flat Ru films is atomically sharp with very limited intermixing. These results demonstrate the usefulness of postanneal processes for producing high-quality epitaxial films of elemental metals on insulating substrates. [ABSTRACT FROM AUTHOR]

Infinite-layer nickelates stand as a promising frontier in the exploration of unconventional superconductivity. Their synthesis through topotactic oxygen reduction from the parent perovskite phase remains a complex and elusive process. This study delves into the nano-scale effects of the topotactic lattice transformation within LaNiO2 crystals. Leveraging high-resolution scanning transmission electron microscopy and spectroscopy, our investigations uncover a panorama of structural alterations, including grain boundaries and coherent twin boundaries, triggered by reduction-induced transformations. In addition, our analyses unveil the formation of an oxygen-rich disordered transition phase encircling impurities and pervading crystalline domains and the internal strain is accommodated by grain boundary formation. By unraveling these nano-scale effects, our findings provide insights into the microscopic intricacies of the topotactic reduction process elucidating the transition from the perovskite to the infinite-layer phase within nickelate bulk crystals. [ABSTRACT FROM AUTHOR]

The Bi–Te binary system, characterized by the homologous series of (Bi2)m(Bi2Te3)n, has always attracted research interest for its layered structures and potential in advanced material applications. Despite the fact that Bi2Te3 has been extensively studied, the exploration of other compounds has been constrained by synthesis challenges. This study reports the molecular beam epitaxy growth of FeTe on Bi2Te3, demonstrating that varying growth conditions can turn the Bi2Te3 layer into different Bi–Te phases and form corresponding FeTe/Bi–Te heterostructures. Our combined analysis using reflection high-energy electron diffraction, high-resolution x-ray diffraction, and high-resolution scanning transmission electron microscopy indicates that specific growth conditions used for the growth of the FeTe layer can facilitate the extraction of Te from Bi2Te3, leading to the formation of Bi4Te3 and Bi6Te3. In addition, by lowering the FeTe growth temperature to 230 °C, Te extraction from the Bi2Te3 layer could be avoided, preserving the Bi2Te3 structure. Notably, all three FeTe/Bi–Te structures exhibit superconductivity, with the FeTe/Bi2Te3 heterostructure enjoying the highest superconductivity quality. The results of magneto-transport measurements indicate that the induced superconductivity displays a three-dimensional nature. These findings introduce a novel method for realizing Bi4Te3 and Bi6Te3 through Te extraction by growing FeTe on Bi2Te3, driven by the high reactivity between Fe and Te. This approach holds promise for synthesizing other members of the Bi–Te series, expanding the functional potential of these materials. [ABSTRACT FROM AUTHOR]

Superconducting films of α-Ta are promising candidates for the fabrication of advanced superconducting qubits. However, α-Ta films suffer from many growth-induced structural inadequacies that negatively affect their performance. We have therefore explored a new synthesis method for α-Ta films, which allows for the growth of these films with an unprecedented quality. Using this method, high quality α-Ta films are deposited at a comparably high substrate temperature of 1150 °C. They are single-phase α-Ta and have a single out-of-plane (110) orientation. They consist of grains ≥2 μm that have one of three possible in-plane orientations. As shown by scanning transmission electron microscopy and electron energy loss studies, the substrate–film interfaces are sharp with no observable intermixing. The obtained insights into the epitaxial growth of body-centered-cubic films on quasi-hexagonal substrates lay the basis for harnessing the high structural coherence of such films in various applications. [ABSTRACT FROM AUTHOR]

We investigate the composition of α-phase intermediate layers at epitaxial Ga2O3/Al2O3 interfaces using high angle annular dark field scanning transmission electron microscopy. Their presence is considered a general phenomenon as they are observed independent of the growth technique [Schewski et al., Appl. Phys. Exp. 8, 011101]. Samples were grown by plasma assisted molecular beam epitaxy using different growth conditions. Almost independent of these, the quantitative evaluation of the measured intensities gave Ga concentrations of ∼25%. We show that the previously published model, based on a pure α-Ga2O3 interlayer, fails if it is adapted to the measured composition. Density functional theory (DFT) computations were used to overcome the approximations made in this model and suggest that a stabilization of the layer is possible due to the low Ga concentration (≤ 35%) at which the α-phase is the most stable. Our surface model computations suggest an exchange of Ga atoms at the surface with Al atoms from the underlying substrate as a possible formation mechanism. [ABSTRACT FROM AUTHOR]

In this work, we report quantitative morphometry of freeze-dried graphene-based aerogels (i.e., graphene aerogel-GA, nitrogenated GA-NGA, graphene-carbon nanotube hybrid-Gr-MWCNTs, carbon foam-CF, and CF-GA hybrid-CF-GA) and monoliths, prepared by hydrothermal and organic sol-gel methods, respectively. X-ray micro-computed tomography (XMCT) in combination with scanning and transmission electron microscopy allowed visualization of internal microstructures in three-dimensional space. Quantitative morphometry analysis through the reconstructed volume renderings from two-dimensional sliced images revealed hierarchical structures possessing interlaced thin sheets, honeycomb organization, and topological interconnected pore background domains. The influence of small-diameter functionalized multi-walled carbon nanotubes (MWCNTs) inclusions to graphene-like sheets and integration with CF is assessed through quantitative morphometry analysis in terms of volume-weighted pore size, wall thickness, and porosity levels. Hybrid composite porous solids elucidated cross-linking reinforced by a homogeneous distribution of CNTs into complex sheets of GA and CF matrices. A consistent trend impacting porosity and interconnectedness was found following NGA ≥ GA > CF > Gr-MWCNT2:1 > CF-GA > Gr-MWCNT3:1 > Gr-MWCNT5:1, from XMCT image processing and analyses in corroboration with physical properties and reliability. The experimental results provide insights and guide the design of characteristic porous carbonaceous and graphene-based functional nanomaterials for energy sciences, environmental engineering, and fundamental reactive transport of fluids. [ABSTRACT FROM AUTHOR]

The structure, composition, and spatial distribution heterogeneity of artificial pinning centers affect the critical current density of REBa2Cu3O7−y (RE: rare earth) coated conductors. Nanoscale structures and compositions have been analyzed with transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM). However, microscale heterogeneity has been difficult to characterize. Here, YBa2Cu3O7−y thin films doped with double-perovskite Ba2YbNbO6 were prepared via pulsed-laser deposition and characterized with TEM, STEM, and scanning electron microscopy (SEM). Cross-sectional and plan-view TEM/STEM imaging revealed hybrid pinning structures consisting of nanorods, nanoparticles, and planar defects that were formed spontaneously. Nanorods were imaged with high spatial resolution via field-emission SEM of thin-foil specimens. Focused-ion-beam (FIB) micro-sectioning enables SEM imaging of microscale heterogeneity in nanorod spatial distributions. By using TEM/STEM in conjunction with FIB-SEM, the coated conductor inhomogeneity was directly evaluated from the nano- to micrometer scales. [ABSTRACT FROM AUTHOR]

Epitaxial lift-off (ELO) of high-quality GaN layers allows for integration with a variety of materials enabling improved performance, reduced costs, and development of new electronics. Of the ELO technologies, two-dimensional (2D) material-based lift-off offers great promise but is still in the early stages of development and has yet to demonstrate the scale and yield of other ELO technologies. Here, we demonstrate the potential of this process's scalability, speed, and yield through epitaxial growth and lift-off of 4-in. GaN films using a 2D boron nitride (BN) van der Waals (vdW) buffer layer. Since the BN layer acts as the growth template and the mechanical release layer, both the quality and adhesion of the GaN layer are correlated with the BN morphology and uniformity. Detailed spectroscopic mapping demonstrates excellent BN uniformity, which translates into growth of high-quality GaN as shown in mapping of the x-ray rock curves (XRCs), atomic force microscopy, and photoluminescence. Scanning transmission electron microscopy and electron energy loss spectroscopy reveal abrupt chemically distinct interfaces between the sapphire, BN, and AlN/GaN layers essential for efficient lift-off. Combined with the BN/GaN vdW heterostructure, Ni spalling is used to efficiently lift-off and transfer a full 4-in. GaN layer. Post transfer characterization of a 1.9 μm thick GaN layer transferred to a SiO2/Si wafer shows a very minimal change in the XRC and photoluminescence. Strain measurements before and after transfer show that the process fully relaxes residual strain formed in the GaN during high-temperature growth. This work highlights the potential for industry scalability of an exciting 2D material-based lift-off technology, which can facilitate higher power and more efficient radio frequency devices. [ABSTRACT FROM AUTHOR]

We have investigated the impact of high-temperature Mg-implantation in GaN layers on distribution of Mg-enriched defects using scanning transmission electron microscopy and atom probe tomography. For this, 1 × 1019 cm−3 Mg ions have been implanted in GaN layers at room temperature (RT) and 1000 °C, followed by annealing at 1300 °C. A smaller number of Mg-enriched defects were observed in the sample implanted at 1000 °C in comparison to the sample implanted at RT. The implantation of Mg ions at 1000 °C resulted in a higher amount of randomly distributed Mg in the GaN matrix, which, in turn, leads to more uniform and enhanced donor–acceptor pair emission, leading to higher Mg activation. [ABSTRACT FROM AUTHOR]

Trench defects, resulting in low emission efficiency in green and longer spectrum ranges, are widely observed in III-nitride alloy multiple quantum wells (MQWs), particularly in those with high indium content. There is a lack of understanding of the atomic formation mechanism of trench defects; however, it is crucial to the efficiency of devices. Here, we provided a thermodynamic analysis through first-principles calculations based on the density functional theory combined with experimental confirmation to reveal the atomic formation mechanism of trench defects in the InGaN MQWs system. The In-rich region is easy to form and induces basal plane stacking faults (BSFs) at the interface between the InGaN quantum well and the GaN quantum barrier (QB). The boundary between BSF and non-BSF regions exhibits a much slower growth rate due to the formation of homoelementary bonds, resulting in a V-shaped groove shape. Based on high-angle annular dark field scanning transmission electron microscopy, we observe the trench defects originating from the thick GaN QB layer due to the formation of closed-loop V-shaped grooves and the BSF. Besides, the cathodoluminescence measurements show that the InGaN QW within the defect has excess indium and poor crystal quality. [ABSTRACT FROM AUTHOR]

Aberration-corrected scanning transmission electron microscopy techniques are used to study the bonding configuration between gallium cations and nitrogen anions at defects in metalorganic vapor-phase epitaxy-grown cubic zincblende GaN on vicinal (001) 3C-SiC/Si. By combining high-angle annular dark-field and annular bright-field imaging, the orientation and bond polarity of planar defects, such as stacking faults and wurtzite inclusions, were identified. It is found that the substrate miscut direction toward one of the 3C-SiC ⟨ 110 ⟩ in-plane directions is correlated with the crystallographic [1–10] in-plane direction and that the {111} planes with a zone axis parallel to the miscut have a Ga-polar character, whereas the {111} planes in the zone perpendicular to the miscut direction have N-polarity. The polarity of {111}-type stacking faults is maintained in the former case by rotating the coordination of Ga atoms by 180° around the ⟨ 111 ⟩ polar axes and in the latter case by a similar rotation of the coordination of the N atoms. The presence of small amounts of the hexagonal wurtzite phase on Ga-polar {111} planes and their total absence on N-polar {111} planes is tentatively explained by the preferential growth of wurtzite GaN in the [0001] Ga-polar direction under non-optimized growth conditions. [ABSTRACT FROM AUTHOR]

We report on fabrication and performance of sub-micrometer Ni/Au/Ge contacts to a two-dimensional electron gas in an AlGaAs/GaAs heterostructure. Utilizing scanning transmission electron microscopy, energy dispersive x-ray spectroscopy, and low temperature electrical measurements, we investigate the relationship between contact performance and the mechanical and chemical properties of the annealed metal stack. Contact geometry and crystallographic orientation significantly impact performance. Our results indicate that the spatial distribution of germanium in the annealed contact plays a central role in the creation of high transmission contacts. We characterize the transmission of our contacts at high magnetic fields in the quantum Hall regime. Our work establishes that contacts with an area of 0.5 μ m2 and resistance less than 400 Ω can be fabricated with high yield. [ABSTRACT FROM AUTHOR]

We have examined the origins of polytype selection during metal-mediated molecular-beam epitaxy of GaN nanowires (NWs). High-angle annular dark-field scanning transmission electron microscopy reveals [111]-oriented zinc blende (ZB) NWs and [0001]-oriented wurtzite (WZ) NWs, with SixNy at the interface between individual NWs and the Si (001) substrate. Quantitative energy dispersive x-ray spectroscopy reveals a notably higher Si concentration of 7.0% ± 2.3% in zinc blende (ZB) NWs than 2.3% ± 1.2% in wurtzite (WZ) NWs. Meanwhile, density functional theory calculations show that incorporation of 8 at. % Si on the Ga sublattice inverts the difference in formation energies between WZ and ZB GaN, such that the ZB polytype of GaN is stabilized. This identification of Si and other ZB polytype stabilizers will enable the development of polytype heterostructures in a wide variety of WZ-preferring compounds. [ABSTRACT FROM AUTHOR]

The wurtzite structure is one of the most frequently found crystal structures in modern semiconductors and its inherent spontaneous polarization is a defining materials property. Despite this significance, confusion has been rampant in the literature with respect to the orientation of the spontaneous polarization inside the unit cell of the wurtzite structure, especially for the technologically very relevant III-N compounds (AlN, GaN, and InN). In particular, the spontaneous polarization has been reported to either point up or down for the same unit cell orientation, depending on the literature source—with important implications for, e.g., the carrier type and density expected at interfaces of heterostructures involving materials with the wurtzite structure. This perspective aims to resolve this ambiguity by reviewing available reports on the direction of the energetically preferred polarization direction in the presence of external electric fields as well as atomically resolved scanning transmission electron microscopy images. While we use ferroelectric wurtzite Al1−xScxN as a key example, our conclusions are generalizable to other compounds with the same crystal structure. We demonstrate that a metal-polar unit cell must be associated with an upward polarization vector—which is contrary to long-standing conventional wisdom. [ABSTRACT FROM AUTHOR]

Since antiferromagnets (AFMs) have the potential to drive spintronic devices to higher speed and stability, generation, and transportation of terahertz (THz) spin currents in AFM/heavy metal (HM) structures have been extensively studied. However, effective methods to optimize the efficiency of THz spin current transmission at the interface are still lacking. Here, we demonstrated a significant enhancement of THz spin current in NiO/Pt structures by using THz emission spectroscopy. The spin transmittance is increased by up to a factor of 3.7 after heating the samples at a temperature of 350 ° C for 0.5 h. This enhancement can be attributed to the optimization of the NiO/Pt interface resulting from the heating process. In contrast, the control samples NiO/Cu/Pt and NiO did not exhibit a similar enhancement, indicating that the improvement in spin current transmission is specific to the NiO/Pt interface. The scanning transmission electron microscopy is used to observe the optimized interface and confirmed the reason for THz signal enhancement. Our work paves a way for the modulation of AFM/HM interfaces and the optimization of ultrafast spintronic devices based on AFMs. [ABSTRACT FROM AUTHOR]

Nanometer-scale crystallographic structure and orientation of a NbTiN/AlN/NbTiN device stack grown via plasma-assisted molecular beam epitaxy on c-plane sapphire are reported. Structure, orientation, interface roughness, and thickness are investigated using correlative four-dimensional scanning transmission electron microscopy and atom probe tomography (APT). This work finds NbTiN that is rock salt structured and highly oriented toward ⟨111⟩ with rotations about that axis corresponding to step edges in the c-plane sapphire with a myriad of twin boundaries that exhibit nanoscale spacing. The wurtzite (0001) AlN film grown on (111) NbTiN exhibits nm-scale changes in the thickness resulting in pinhole shorts across the barrier junction. The NbTiN overlayer grown on AlN is polycrystalline, randomly oriented, and highly strained. APT was also used to determine local changes in chemistry within the superconductor and dielectric. Deviation from both intended cation:cation and cation:anion ratios are observed. The results from conventional and nanoscale metrology highlight the challenges of engineering nitride trilayer heterostructures in material systems with complicated and understudied phase space. [ABSTRACT FROM AUTHOR]

Beta-phase gallium oxide (β-Ga2O3) has exceptional electronic properties with vast potential in power and radio frequency electronics. Despite the excellent demonstrations of high-performance unipolar devices, the lack of effective p-type dopants in β-Ga2O3 has hindered the further development of Ga2O3-based bipolar devices. In this work, we applied the semiconductor grafting approach and fabricated monocrystalline Si/β-Ga2O3p–n heterojunctions, of which the characteristics were systematically studied. The heterojunctions demonstrated a diode rectification over 1.3 × 107 at ±2 V with a diode ideality factor of 1.13. Furthermore, capacitance–voltage (C–V) measurement showed frequency dispersion-free characteristics from 10 to 900 kHz. The interface defect density (Dit) was calculated as 1–3 × 1012/cm2 eV. Scanning transmission electron microscopy (STEM) and x-ray photoelectron spectroscopy (XPS) revealed that an ultrathin oxygen-rich layer existed on the Ga2O3 surface and later formed an ultrathin interfacial layer after bonding with Si. It is speculated that the excessive oxygen at the Ga2O3 surface enhanced the passivation of the Si dangling bonds and thus reduced Dit. This work improved our understanding of interface properties of the semiconductor grafting approach, providing useful guidance on the future development of Si/Ga2O3 heterojunction devices. [ABSTRACT FROM AUTHOR]

In photon upconverting core–shell nanoparticles, structure strongly dictates performance. Typical imaging in scanning transmission electron microscopy has sufficient resolution to probe the atomic structure of these nanoparticles, but contrast, dose, and projection limitations make conventional methods insufficient for fully characterizing these structures. Phase retrieval techniques provide a promising alternative imaging mode, and, in particular, multislice electron ptychography can recover depth-dependent information. Here, we study beam-sensitive photon upconverting core–shell nanoparticles with a multislice ptychography approach using a low electron dose to avoid damage. Large strain fields arise in these heterostructures due to the mismatch in lattice parameter between the core and the shell. We reconstruct both a nanoparticle that appears defect-free and one that has a large break in the side and map the distribution of strain in 3D by computing distortion fields from high-resolution potential images of each slice. In the defect-free nanoparticle, we observe twisting of the shell, while in the broken nanoparticle, we measure the 3D position of the crack, the core, and dislocations. These results highlight the advantage of multislice electron ptychography to recover 3D information from a single scan, even under strict electron dose requirements from beam-sensitive samples. [ABSTRACT FROM AUTHOR]

Metallic delafossites, ABO2 (A = Pd or Pt), are layered oxides that are as conductive as elemental metals. The high conductivity and surface polarity make metallic delafossites fascinating electrode materials for heterostructure devices. Here, we report the successful growth of c-axis-oriented PdCoO2 thin films on Al2O3 (001) substrates by magnetron sputtering that is widely used in industries. The observation of the PdCoO2 thin films through scanning transmission electron microscopy revealed layered crystal structures. A sharp interface exhibiting a layer stacking sequence of Pd/CoO2/Al2O3 was observed clearly, similar to the interfaces obtained with other growth methods such as pulsed laser deposition and molecular beam epitaxy. This layer stacking is particularly interesting because it can induce a high work function at the interface. The in-plane resistivity of the as-grown PdCoO2 thin film was 73 μΩ cm at room temperature, which decreased to 11 μΩ cm after post-annealing. The residual resistivity ratio of the annealed thin films was approximately 2.9. The impurity phases of PdOx were observed using x-ray diffraction and scanning transmission electron microscopy. The sputtering deposition of c-axis-oriented thin films could lead to the practical application of the polar surface of PdCoO2 in semiconductor devices. [ABSTRACT FROM AUTHOR]

Epitaxial growth of a wide bandgap semiconductor β-Ga2O3 thin film with high crystal quality plays a decisive role in constructing optical and electronic devices. However, except for the native substrate, the scarcity of appropriate non-native substrates or the poor crystallization of the deposit in thin film growth severely limits the fabrication and applicability of the final heterostructures and devices. Here, by taking the consistent symmetry and closely matched atomic spacing between β-Ga2O3 (−201) and the cubic perovskite (111)-oriented plane of SrTiO3, we realize the epitaxial growth of single crystal β-Ga2O3 (−201) thin films on the SrTiO3 (111) substrate by the pulsed laser deposition method, as confirmed by wide-range reciprocal-space mapping and high-resolution scanning transmission electron microscopy. The fabricated β-Ga2O3 (−201) photodetector device on the SrTiO3 (111) substrate exhibits excellent ultraviolet optical detection performance with large on/off switching ratios and a fast response speed. Moreover, the β-Ga2O3/SrTiO3 (111) heterojunction shows type-II heterostructure characteristics for energy band alignment, which displays superior ability for electron–hole pairs separation with large conduction and small valance band offsets of 1.68 and 0.09 eV, respectively. The results offer us a new way to obtain high-quality β-Ga2O3 (−201) thin film heterostructures on cubic SrTiO3 (111) substrates and fabricate β-Ga2O3-based optical and electronic devices. [ABSTRACT FROM AUTHOR]