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We demonstrate a new substrate cleaning and buffer growth scheme in $\beta$-Ga$_2$O$_3$ epitaxial thin films using metalorganic vapor phase epitaxy (MOVPE). For the channel structure, a low-temperature (LT, 600 $^\circ$C) undoped Ga$_2$O$_3$ buffer is grown followed by transition layers to a high-temperature (HT, 810 $^\circ$C) Si-doped Ga$_2$O$_3$ channel layers without growth interruption. The (010) Ga$_2$O$_3$ Fe-doped substrate cleaning uses solvent cleaning followed by an additional HF (49% in water) treatment for 30 mins before the epilayer growth. This step is shown to compensate the parasitic Si channel at the epilayer-substrate interface that originates from the substrate polishing process or contamination from the ambient. SIMS analysis shows the Si peak atomic density at the substrate interface is several times lower than the Fe atomic density in the substrate - indicating full compensation. The elimination of the parasitic electron channel at the epi-substrate interface was also verified by electrical (capacitance-voltage profiling) measurements. In the LT-grown buffer layers, it is seen that the Fe forward decay tail from the substrate is very sharp with a decay rate of $\sim$ 9 nm$/$dec. These channels show record high electron mobility in the range of 196 - 85 cm$^2$/Vs in unintentionally doped and Si-doped films in the doping range of 2$\times$10$^{16}$ to 1$\times$10$^{20}$ cm$^{-3}$. Si delta-doped channels were also grown utilizing this substrate cleaning and the hybrid LT-buffers. Record high electron Hall mobility of 110 cm$^2$/Vs was measured for sheet charge density of 9.2$\times$10$^{12}$ cm$^{-2}$. This substrate cleaning combined with the LT-buffer scheme shows the potential of designing Si-doped $\beta$-Ga$_2$O$_3$ channels with exceptional transport properties for high performance gallium oxide-based electron devices., Comment: 20 pages, 10 figures

Field-plated (FP) depletion-mode MOVPE-grown $\beta$-Ga$_2$O$_3$ lateral MESFETs are realized with superior reverse breakdown voltages and ON currents. A sandwiched SiN$_x$ dielectric field plate design was utilized that prevents etching-related damage in the active region and a deep mesa-etching was used to reduce reverse leakage. The device with L$_{GD}$ = 34.5 $\mu$m exhibits an ON current (I$_{DMAX}$) of 56 mA/mm, a high I$_{ON}$/I$_{OFF}$ ratio $>$ 10$^8$ and a very low reverse leakage until catastrophic breakdown at $\sim$ 4.4kV. The highest measurable V$_{BR}$ recorded was 4.57 kV (L$_{GD}$ = 44.5 $\mu$m). An LFOM of 132 MW/cm$^2$ was calculated for a V$_{BR}$ of $\sim$ 4.4 kV. The reported results are the first $>$ 4kV-class Ga$_2$O$_3$ transistors to surpass the theoretical FOM of Silicon. These are also the highest I$_{DMAX}$ and lowest R$_{ON}$ values achieved simultaneously for any $\beta$-Ga$_2$O$_3$ device with V$_{BR}$ $>$ 4kV to date. This work highlights that high breakdown voltages (V$_{BR}$), high lateral figure of merit (LFOM) and high ON currents can be achieved simultaneously in $\beta$-Ga$_2$O$_3$ lateral transistors., Comment: 4 pages, 5 figures

In this work, bulk Czochralski-grown single crystals of 10 mol. % Al2O3 alloyed B-Ga2O3 - monoclinic 10% AGO or B-(Al0.1Ga0.9)2O3 - are obtained, which show +0.20 eV increase in the bandgap compared with unintentionally doped B-Ga2O3. Further, growths of 33% AGO - B-(Al0.33Ga0.67)2O3 - and 50% AGO - B-(Al0.5Ga0.5)2O3 or B-AlGaO3 - produce polycrystalline single-phase monoclinic material (B-AGO). All three compositions are investigated by x-ray diffraction, Raman spectroscopy, optical absorption, and 27Al nuclear magnetic resonance (NMR). By investigating single phase B-AGO over a large range of Al2O3 concentrations (10 - 50 mol. %), broad trends in the lattice parameter, vibrational modes, optical bandgap, and crystallographic site preference are determined. All lattice parameters show a linear trend with Al incorporation. According to NMR, aluminum incorporates on both crystallographic sites of B-Ga2O3, with a slight preference for the octahedral (GaII) site, which becomes more disordered with increasing Al. Single crystals of 10% AGO were also characterized by x-ray rocking curve, transmission electron microscopy, purity (glow discharge mass spectroscopy and x-ray fluorescence), optical transmission (200 nm - 20 um wavelengths), and resistivity. These measurements suggest that electrical compensation by impurity acceptor doping is not the likely explanation for high resistivity, but rather the shift of a hydrogen level from a shallow donor to a deep acceptor due to Al alloying. .. Cont. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Journal of Applied Physics 131 155702.

We report on the realization of record low resistance Ohmic contacts to MOVPE-grown heavily Si-doped $β$-Ga$_2$O$_3$ and $β$-(Al$_x$Ga$_1-x$)$_2$ O$_3$ epitaxial films. Transfer length measurement (TLM) patterns were fabricated on the heavily Si-doped homoepitaxial $β$-Ga$_2$O$_3$ films with electron concentration (n) ranging from 1.77 to 3.23e20 cm^-3. Record low specific contact resistance and total contact resistance (Rc) of 1.62e-7 Ohm.cm^2 and 0.023 Ohm.mm were realized for $β$-Ga$_2$O$_3$: Si films with n > 3e20 cm^-3. TLM structures were also fabricated on heavily Si doped coherently strained $β$-(Al$_x$Ga$_1-x$)$_2$ O$_3$ (x=12%, 17% and 22%) films. The film with 12% Al composition (n=1.23e20 cm^-3) showed \r{ho}c of 5.85e-6 Ohm.cm^2, but it increased to 2.19e-4 Ohm.cm^2 for a layer with a 22% Al composition. Annealing the samples post metal deposition has generally led to a decrease in contact resistance, but for high Al content $β$-(Al$_x$Ga$_1-x$)$_2$ O$_3$, the contact resistance did not change significantly after the annealing process. The low contact resistance values measured in this work are very promising for the fabrication of high frequency power devices.

Figures showing characterization of other samples mentioned in manuscript

We demonstrate a new substrate cleaning and buffer growth scheme in $β$-Ga$_2$O$_3$ epitaxial thin films using metalorganic vapor phase epitaxy (MOVPE). For the channel structure, a low-temperature (LT, 600 $^\circ$C) undoped Ga$_2$O$_3$ buffer is grown followed by transition layers to a high-temperature (HT, 810 $^\circ$C) Si-doped Ga$_2$O$_3$ channel layers without growth interruption. The (010) Ga$_2$O$_3$ Fe-doped substrate cleaning uses solvent cleaning followed by an additional HF (49% in water) treatment for 30 mins before the epilayer growth. This step is shown to compensate the parasitic Si channel at the epilayer-substrate interface that originates from the substrate polishing process or contamination from the ambient. SIMS analysis shows the Si peak atomic density at the substrate interface is several times lower than the Fe atomic density in the substrate - indicating full compensation. The elimination of the parasitic electron channel at the epi-substrate interface was also verified by electrical (capacitance-voltage profiling) measurements. In the LT-grown buffer layers, it is seen that the Fe forward decay tail from the substrate is very sharp with a decay rate of $\sim$ 9 nm$/$dec. These channels show record high electron mobility in the range of 196 - 85 cm$^2$/Vs in unintentionally doped and Si-doped films in the doping range of 2$\times$10$^{16}$ to 1$\times$10$^{20}$ cm$^{-3}$. Si delta-doped channels were also grown utilizing this substrate cleaning and the hybrid LT-buffers. Record high electron Hall mobility of 110 cm$^2$/Vs was measured for sheet charge density of 9.2$\times$10$^{12}$ cm$^{-2}$. This substrate cleaning combined with the LT-buffer scheme shows the potential of designing Si-doped $β$-Ga$_2$O$_3$ channels with exceptional transport properties for high performance gallium oxide-based electron devices., 20 pages, 10 figures

Contains extra figures mentioned in the manuscript

Tensor contraction operations in computational chemistry consume significant fractions of computing time on large-scale computing platforms. The widespread use of tensor contractions between large multi-dimensional tensors in describing electronic structure theory has motivated the development of multiple tensor algebra frameworks targeting heterogeneous computing platforms. In this paper, we present Tensor Algebra for Many-body Methods (TAMM), a framework for productive and performance-portable development of scalable computational chemistry methods. The TAMM framework decouples the specification of the computation and the execution of these operations on available high-performance computing systems. With this design choice, the scientific application developers (domain scientists) can focus on the algorithmic requirements using the tensor algebra interface provided by TAMM whereas high-performance computing developers can focus on various optimizations on the underlying constructs such as efficient data distribution, optimized scheduling algorithms, efficient use of intra-node resources (e.g., GPUs). The modular structure of TAMM allows it to be extended to support different hardware architectures and incorporate new algorithmic advances. We describe the TAMM framework and our approach to sustainable development of tensor contraction-based methods in computational chemistry applications. We present case studies that highlight the ease of use as well as the performance and productivity gains compared to other implementations.

Ulta-wide bandgap semiconductors based on $\beta$-Ga$_2$O$_3$ offer the potential to achieve higher power switching performance, efficiency, and lower manufacturing cost than today's wide bandgap power semiconductors. However, the most critical challenge to the commercialization of Ga$_2$O$_3$ electronics is overheating, which impacts the device's performance and reliability. We fabricated a Ga$_2$O$_3$/4H-SiC composite wafer using a fusion-bonding method. A low temperature ($\le$ 600 $^{\circ}$C) epitaxy and device processing approach based on low-temperature (LT) metalorganic vapor phase epitaxy is developed to grow a Ga$_2$O$_3$ epitaxial channel layer on the composite wafer and subsequently fabricate into Ga$_2$O$_3$ power MOSFETs. This LT approach is essential to preserve the structural integrity of the composite wafer. These LT-grown epitaxial Ga$_2$O$_3$ MOSFETs deliver high thermal performance (56% reduction in channel temperature), high voltage blocking capabilities up to 2.45 kV, and power figures of merit of $\sim$ 300 MW/cm$^2$, which is a record high for any heterogeneously integrated Ga$_2$O$_3$ devices reported to date. This work is the first realization of multi-kilovolt homoepitaxial Ga$_2$O$_3$ power MOSFETs fabricated on a composite substrate with high heat transfer performance which delivers state-of-the-art power density values while running much cooler than those on native substrates. Thermal characterization and modeling results reveal that a Ga$_2$O$_3$/diamond composite wafer with a reduced Ga$_2$O$_3$ thickness ($\sim$ 1 $\mu$m) and thinner bonding interlayer ($, Comment: 17 pages, 9 figures

Field-plated (FP) depletion-mode MOVPE-grown $β$-Ga$_2$O$_3$ lateral MESFETs are realized with superior reverse breakdown voltages and ON currents. A sandwiched SiN$_x$ dielectric field plate design was utilized that prevents etching-related damage in the active region and a deep mesa-etching was used to reduce reverse leakage. The device with L$_{GD}$ = 34.5 $μ$m exhibits an ON current (I$_{DMAX}$) of 56 mA/mm, a high I$_{ON}$/I$_{OFF}$ ratio $>$ 10$^8$ and a very low reverse leakage until catastrophic breakdown at $\sim$ 4.4kV. The highest measurable V$_{BR}$ recorded was 4.57 kV (L$_{GD}$ = 44.5 $μ$m). An LFOM of 132 MW/cm$^2$ was calculated for a V$_{BR}$ of $\sim$ 4.4 kV. The reported results are the first $>$ 4kV-class Ga$_2$O$_3$ transistors to surpass the theoretical FOM of Silicon. These are also the highest I$_{DMAX}$ and lowest R$_{ON}$ values achieved simultaneously for any $β$-Ga$_2$O$_3$ device with V$_{BR}$ $>$ 4kV to date. This work highlights that high breakdown voltages (V$_{BR}$), high lateral figure of merit (LFOM) and high ON currents can be achieved simultaneously in $β$-Ga$_2$O$_3$ lateral transistors., 4 pages, 5 figures

In this letter, fin-shape tri-gate $β$-Ga$_{2}$O$_{3}$ lateral MESFETs are demonstrated with a high power figure of merit of 0.95 GW/cm$^{2}$ - a record high for any $β$-Ga$_{2}$O$_{3}$ transistor to date. A low-temperature undoped buffer-channel stack design is developed which demonstrates record high Hall and drift electron mobilities in doped $β$-Ga$_{2}$O$_{3}$ channels allowing for low ON resistances R$_{ON}$ in $β$-Ga$_{2}$O$_{3}$ MESFETs. Fin-widths (W$_{fin}$) were 1.2-1.5 $μ$m and there were 25 fins (N$_{fin}$) per device with a trench depth of $\sim$1$μ$m. A $β$-Ga$_2$O$_3$ MESFET with a source-drain length of 6.4 $μ$m exhibits a high ON current (187 mA/mm), low R$_{ON}$ (20.5 $Ω$.mm) and a high average breakdown field (4.2 MV/cm). All devices show very low reverse leakage until catastrophic breakdown for breakdown voltages scaled from 1.1kV to $\sim$3kV. This work demonstrates the potential of channel engineering in improving $β$-Ga$_{2}$O$_{3}$ device performance toward lower conduction losses for low-to-medium voltage applications., 4 pages, 5 pages

We demonstrate over 3 kV gate-pad-connected field plated (GPFP) $\beta$-Ga$_2$O$_3$ lateral MESFETs with high lateral figure of merit (LFOM) using metalorganic vapor phase epitaxy (MOVPE) grown channel layers and regrown ohmic contact layers. Using an improved low-temperature MOVPE selective area epitaxy process, we show that a total contact resistance to the channel as low as 1.4 $\Omega$.mm can be achieved.The GPFP design adopted here using PECVD (plasma-enhanced chemical vapor deposition) deposited SiN$_x$ dielectric and SiN$_x$/SiO$_2$ wrap-around passivation exhibits up to ~14% improved R$_{ON}$, up to ~70% improved breakdown voltage (V$_{BR}$ = V$_{DS}$ - V$_{GS}$) resulting in up to $\sim$3$\times$ higher LFOM compared to non-FP $\beta$-Ga$_2$O$_3$ lateral MESFETs. The V$_{BR}$ (~2.5 kV) and LFOM (355 MW/cm$^2$) measured simultaneously in our GPFP $\beta$-Ga$_2$O$_3$ lateral MESFET (with L$_{GD}$ = 10 $\mu$m) is the highest value achieved in any depletion-mode $\beta$-Ga$_2$O$_3$ lateral device., Comment: 6 pages, 5 figures

This paper presents vertical (001) oriented $\beta$-Ga$_2$O$_3$ field plated (FP) Schottky barrier diode (SBD) with a novel extreme permittivity dielectric field oxide. A thin drift layer of 1.7 $\mu m$ was used to enable a punch-through (PT) field profile and very low differential specific on-resistance (R$_{on-sp}$) of 0.32 m$\Omega$-cm$^{2}$. The extreme permittivity field plate oxide facilitated the lateral spread of the electric field profile beyond the field plate edge and enabled a breakdown voltage ($V_{br}$) of 687 V. The edge termination efficiency increases from 13.5 $\%$ for non-field plated structure to 63 $\%$ for high permittivity field plate structure. The surface breakdown electric field was extracted to be 5.45 MV/cm at the center of the anode region using TCAD simulations. The high permittivity field plated SBD demonstrated a record high Baliga figure of merit (BFOM) of 1.47 GW/cm$^{2}$ showing the potential of Ga$_2$O$_3$ power devices for multi-kilovolt class applications.

We report on the growth and characterization of Ge-doped \b{eta}-Ga2O3 thin films using a solid germanium source. \b{eta}-Ga2O3 thin films were grown using a low-pressure chemical vapor deposition (LPCVD) reactor with either an oxygen or gallium delivery tube. Films were grown on 6 degree offcut sapphire and (010) \b{eta}-Ga2O3 substrates with growth rates between 0.5 - 22 {\mu}m/hr. By controlling the germanium vapor pressure, a wide range of Hall carrier concentrations between 10^17 - 10^19 cm-3 were achieved. Low-temperature Hall data revealed a difference in donor incorporation depending on the reactor configuration. At low growth rates, germanium occupied a single donor energy level between 8 - 10 meV. At higher growth rates, germanium doping predominantly results in a deeper donor energy level at 85 meV. This work shows the effect of reactor design and growth regime on the kinetics of impurity incorporation. Studying donor incorporation in \b{eta}-Ga2O3 is important for the design of high-power electronic devices., Comment: 16 pages,4 figures

We report on the demonstration of metalorganic vapor phase epitaxy-regrown (MOVPE) ohmic contacts in an all MOVPE-grown $\beta$-Ga$_2$O$_3$ metal-semiconductor field effect transistor (MESFET). The low-temperature (600$^{\circ}$C) heavy (n$^{+}$) Si-doped regrown layers exhibit extremely high conductivity with sheet resistance of 73 $\Omega$/$\square$ and record low metal/n$^{+}$-Ga$_2$O$_3$ contact resistance of 80 m$\Omega$.mm and specific contact resistivity of 8.3$\times$10$^{-7}$ $\Omega$.cm$^{2}$ were achieved. The fabricated MESFETs exhibit a maximum drain-to-source current of 130 mA/mm, a high I$_{ON}$/I$_{OFF}$ of $>$10$^{10}$ with a high power FOM of 25 MW/cm$^{2}$ were achieved without any field plates. Nanoparticle-assisted Raman thermometry, thermal modeling, and infrared thermography were performed to assess the device self-heating under the high current and power conditions. This demonstration shows the promise of MOVPE technique for the realization of high-performance lateral $\beta$-Ga$_2$O$_3$ devices and also highlights the need for device-level thermal management.

The computational power increases over the past decades havegreatly enhanced the ability to simulate chemical reactions andunderstand ever more complex transformations. Tensor contractions are the fundamental computational building block of these simulations. These simulations have often been tied to one platform and restricted in generality by the interface provided to the user. The expanding prevalence of accelerators and researcher demands necessitate a more general approach which is not tied to specific hardware or requires contortion of algorithms to specific hardware platforms. In this paper we present COMET, a domain-specific programming language and compiler infrastructure for tensor contractions targeting heterogeneous accelerators. We present a system of progressive lowering through multiple layers of abstraction and optimization that achieves up to 1.98X speedup for 30 tensor contractions commonly used in computational chemistry and beyond., Proceeding of the 33rd the Workshop on Languages and Compilers for Parallel Computing (LCPC), October 2020

Heterogeneous integration strategies are increasingly being employed to achieve more compact and capable electronics systems for multiple applications including space, electric vehicles, and wearable and medical devices. To enable new integration strategies, the growth and transfer of thin electronic films and devices, including III-nitrides, metal oxides, and two-dimensional (2D) materials, using 2D boron nitride (BN)-on-sapphire templates is demonstrated. The van der Waals BN layer, in this case, acts as a preferred mechanical release layer for precise separation at the substrate-film interface and leaves a smooth surface suitable for van der Waals bonding. A tensilely-stressed Ni layer sputtered on top of the film induces controlled spalling fracture which propagates at the BN/sapphire interface. By incorporating controlled spalling, the process yield and sensitivity is greatly improved, owed to the greater fracture energy provided by the stressed metal layer relative to a soft tape or rubber stamp. With stress playing a critical role in this process, the influence of residual stress on detrimental cracking and bowing is investigated. Additionally, a selected area lift-off technique is developed which allows for isolation and transfer of individual devices while maximizing wafer area use and minimizing extra alignment steps in the integration process., Comment: 11 pages, 4 figures

In this paper, we first study the quantum jump formalism and its equivalence to the Lindblad master equation in describing the evolution of open quantum systems. Second, we evaluate the impact of logical Pauli and coherent Z-rotation errors on six quantum algorithms and their algorithmic resilience to these errors by performing the Monte Carlo simulations dictated by the quantum jump method. The results suggest that the resilience of the studied quantum algorithms decreases as the number of qubits and the depth of the algorithms' circuits increase for single Pauli and Z-rotation errors. Moreover, when two Pauli errors occur, the success of the algorithms becomes significantly unlikely. As per two Z-rotations errors, the success rate of the algorithms vanishes.

We report on the demonstration of metalorganic vapor phase epitaxy-regrown (MOVPE) ohmic contacts in an all MOVPE-grown $��$-Ga$_2$O$_3$ metal-semiconductor field effect transistor (MESFET). The low-temperature (600$^{\circ}$C) heavy (n$^{+}$) Si-doped regrown layers exhibit extremely high conductivity with sheet resistance of 73 $��$/$\square$ and record low metal/n$^{+}$-Ga$_2$O$_3$ contact resistance of 80 m$��$.mm and specific contact resistivity of 8.3$\times$10$^{-7}$ $��$.cm$^{2}$ were achieved. The fabricated MESFETs exhibit a maximum drain-to-source current of 130 mA/mm, a high I$_{ON}$/I$_{OFF}$ of $>$10$^{10}$ with a high power FOM of 25 MW/cm$^{2}$ were achieved without any field plates. Nanoparticle-assisted Raman thermometry, thermal modeling, and infrared thermography were performed to assess the device self-heating under the high current and power conditions. This demonstration shows the promise of MOVPE technique for the realization of high-performance lateral $��$-Ga$_2$O$_3$ devices and also highlights the need for device-level thermal management.

We demonstrate over 3 kV gate-pad-connected field plated (GPFP) $��$-Ga$_2$O$_3$ lateral MESFETs with high lateral figure of merit (LFOM) using metalorganic vapor phase epitaxy (MOVPE) grown channel layers and regrown ohmic contact layers. Using an improved low-temperature MOVPE selective area epitaxy process, we show that a total contact resistance to the channel as low as 1.4 $��$.mm can be achieved.The GPFP design adopted here using PECVD (plasma-enhanced chemical vapor deposition) deposited SiN$_x$ dielectric and SiN$_x$/SiO$_2$ wrap-around passivation exhibits up to ~14% improved R$_{ON}$, up to ~70% improved breakdown voltage (V$_{BR}$ = V$_{DS}$ - V$_{GS}$) resulting in up to $\sim$3$\times$ higher LFOM compared to non-FP $��$-Ga$_2$O$_3$ lateral MESFETs. The V$_{BR}$ (~2.5 kV) and LFOM (355 MW/cm$^2$) measured simultaneously in our GPFP $��$-Ga$_2$O$_3$ lateral MESFET (with L$_{GD}$ = 10 $��$m) is the highest value achieved in any depletion-mode $��$-Ga$_2$O$_3$ lateral device., 6 pages, 5 figures

This paper presents vertical (001) oriented $β$-Ga$_2$O$_3$ field plated (FP) Schottky barrier diode (SBD) with a novel extreme permittivity dielectric field oxide. A thin drift layer of 1.7 $μm$ was used to enable a punch-through (PT) field profile and very low differential specific on-resistance (R$_{on-sp}$) of 0.32 m$Ω$-cm$^{2}$. The extreme permittivity field plate oxide facilitated the lateral spread of the electric field profile beyond the field plate edge and enabled a breakdown voltage ($V_{br}$) of 687 V. The edge termination efficiency increases from 13.5 $\%$ for non-field plated structure to 63 $\%$ for high permittivity field plate structure. The surface breakdown electric field was extracted to be 5.45 MV/cm at the center of the anode region using TCAD simulations. The high permittivity field plated SBD demonstrated a record high Baliga figure of merit (BFOM) of 1.47 GW/cm$^{2}$ showing the potential of Ga$_2$O$_3$ power devices for multi-kilovolt class applications.

In this work, we use photoluminescence spectroscopy (PL) to monitor changes in the UV, UV', blue, and green emission bands from n-type (010) Ga2O3 films grown by metalorganic vapor phase epitaxy (MOVPE) induced by annealing at different temperatures under O2 ambient. Annealing at successively higher temperatures decreases the overall PL yield and UV intensity at nearly the same rates, indicating the increase in formation of at least one non-radiative defect type. Simultaneously, the PL yield ratios of blue/UV and green/UV increase, suggesting that defects associated with these emissions increase in concentration with O2 annealing. Utilizing the different absorption coefficients of 240 and 266 nm polarization-dependent excitation, we find an overall activation energy for the generation of non-radiative defects of 0.69 eV in the bulk but 1.55 eV near the surface. We also deduce activation energies for the green emission-related defects of 0.60 eV near the surface and 0.89-0.92 eV through the films, whereas the blue-related defects have activation energy in the range 0.43-0.62 eV for all depths. Lastly, we observe hillock surface morphologies and Cr diffusion from the substrate into the film for temperatures above 1050 oC. These observations are consistent with the formation and diffusion of VGa and its complexes as a dominant process during O2 annealing, but further work will be necessary to determine which defects and complexes provide radiative and non-radiative recombination channels and the detailed kinetic processes occurring at surfaces and in bulk amongst defect populations., 14 pages, 3 figures

This work presents the design of beta-Ga2O3 schottky barrier diode using high-k dielectric superjunction to significantly enhance the breakdown voltage vs on-resistance trade-off beyond its already high unipolar figure of merit. The device parameters are optimized using both TCAD simulations and analytical modeling using conformal mapping technique. The dielectric superjunction structure is found to be highly sensitive to the device dimensions and the dielectric constant of the insulator. The aspect ratio, which is the ratio of the length to the width of the drift region, is found to be the most important parameter in designing the structure and the proposed approach only works for aspect ratio much greater than one. The width of the dielectric layer and the dielectric constant also plays a crucial role in improving the device properties and are optimized to achieve maximum figure of merit. Using the optimized structure with an aspect ratio of 10 and a dielectric constant of 300, the structure is predicted to surpass the b-Ga2O3 unipolar figure of merit by four times indicating the promise of such structures for exceptional FOM vertical power electronics.

The quasi-static anisotropic permittivity parameters of electrically insulating gallium oxide (beta-Ga2O3) were determined by terahertz spectroscopy. Polarization-resolved frequency domain spectroscopy in the spectral range from 200 GHz to 1 THz was carried out on bulk crystals along different orientations. Principal directions for permittivity were determined along crystallographic axes c, and b, and reciprocal lattice direction a*. No significant frequency dispersion in the real part of dielectric permittivity was observed in the measured spectral range. Our results are in excellent agreement with recent radio-frequency capacitance measurements as well as with extrapolations from recent infrared measurements of phonon mode and high frequency contributions, and close the knowledge gap for these parameters in the terahertz spectral range. Our results are important for applications of beta-Ga2O3 in high-frequency electronic devices, Comment: Main Manuscript is 6 pages long with 3 figures and 1 table. The submission also contains a Supplementary Info section

The rapid development of quantum computing (QC) in the NISQ era urgently demands a low-level benchmark suite and insightful evaluation metrics for characterizing the properties of prototype NISQ devices, the efficiency of QC programming compilers, schedulers and assemblers, and the capability of quantum system simulators in a classical computer. In this work, we fill this gap by proposing a low-level, easy-to-use benchmark suite called QASMBench based on the OpenQASM assembly representation. It consolidates commonly used quantum routines and kernels from a variety of domains including chemistry, simulation, linear algebra, searching, optimization, arithmetic, machine learning, fault tolerance, cryptography, etc., trading-off between generality and usability. To analyze these kernels in terms of NISQ device execution, in addition to circuit width and depth, we propose four circuit metrics including gate density, retention lifespan, measurement density, and entanglement variance, to extract more insights about the execution efficiency, the susceptibility to NISQ error, and the potential gain from machine-specific optimizations. Applications in QASMBench can be launched and verified on several NISQ platforms, including IBM-Q, Rigetti, IonQ and Quantinuum. For evaluation, we measure the execution fidelity of a subset of QASMBench applications on 12 IBM-Q machines through density matrix state tomography, which comprises 25K circuit evaluations. We also compare the fidelity of executions among the IBM-Q machines, the IonQ QPU and the Rigetti Aspen M-1 system. QASMBench is released at: http://github.com/pnnl/QASMBench.

We report on low-temperature MOVPE growth of silicon delta-doped \b{eta}-Ga2O3 films with low FWHM. The as-grown films are characterized using Secondary-ion mass spectroscopy, Capacitance-Voltage and Hall techniques. SIMS measurements show that surface segregation is the chief cause of large FWHM in MOVPE-grown films. The surface segregation coefficient (R) is observed to reduce with reduction in the growth temperature. Films grown at 600 {\deg}C show an electron concentration of 9.7 x 1012 cm-2 and a FWHM of 3.2 nm. High resolution scanning/transmission electron microscopy of the epitaxial film did not reveal any significant observable degradation in crystal quality of the delta sheet and surrounding regions. Hall measurements of delta-doped film on Fe-doped substrate showed a sheet charge density of 6.1 x 1012 cm-2 and carrier mobility of 83 cm2/V. s. Realization of sharp delta doping profiles in MOVPE-grown \b{eta}-Ga2O3 is promising for high performance device applications., Comment: 10 pages, 5 figures

Automated techniques for rigorous floating-point round-off error analysis are important in areas including formal verification of correctness and precision tuning. Existing tools and techniques, while providing tight bounds, fail to analyze expressions with more than a few hundred operators, thus unable to cover important practical problems. In this work, we present Satire, a new tool that sheds light on how scalability and bound-tightness can be attained through a combination of incremental analysis, abstraction, and judicious use of concrete and symbolic evaluation. Satire has handled problems exceeding 200K operators. We present Satire's underlying error analysis approach, information-theoretic abstraction heuristics, and a wide range of case studies, with evaluation covering FFT, Lorenz system of equations, and various PDE stencil types. Our results demonstrate the tightness of Satire's bounds, its acceptable runtime, and valuable insights provided., Comment: A more informative and updated version of this paper has been accepted for publication at SuperComputing 2020

We report on the modeling of polarization-induced two-dimensional electron gas (2DEG) formation at $��$-AlGaO3 / $��$-Ga2O3 heterointerface and the effect of spontaneous polarization (Psp) reversal on 2DEG density in $��$-Ga2O3 /$��$-AlGaO3 / $��$-Ga2O3 double heterostructures. Density-functional theory (DFT) is utilized to calculate the material properties of $��$-Ga2O3 and $��$-AlGaO3 alloys. Using Schrodinger-Poisson solver along with DFT calculated parameters, the 2DEG density is calculated as a function of barrier type and thickness. By optimizing the layer thicknesses of $��$-Ga2O3/$��$-AlGaO3/$��$-Ga2O3 heterostructures, charge contrast ratios exceeding 1600 are obtained. This computational study indicates the high potential for $��$-Ga2O3-based heterostructure devices for non-volatile memories and neuromorphic applications.

In this work, we report on the growth of high-mobility $��$-Ga$_2$O$_3$ homoepitaxial thin films grown at a temperature much lower than the conventional growth temperature window for metalorganic vapor phase epitaxy. Low-temperature $��$-Ga$_2$O$_3$ thin films grown at 600$^{\circ}$C on Fe-doped (010) bulk substrates exhibits remarkable crystalline quality which is evident from the measured room temperature Hall mobility of 186 cm$^2$/Vs for the unintentionally doped films. N-type doping is achieved by using Si as a dopant and controllable doping in the range of 2$\times$10$^{16}$ - 2$\times$10$^{19}$ cm$^{-3}$ is studied. Si incorporation and activation is studied by comparing silicon concentration from secondary ion mass spectroscopy (SIMS) and electron concentration from temperature-dependent Hall measurements. The films exhibit high purity (low C and H concentrations) with a very low concentration of compensating acceptors (2$\times$10$^{15}$ cm$^{-3}$) even at this growth temperature. Additionally, abrupt doping profile with forward decay of $\sim$ 5nm/dec (10 times improvement compared to what is observed for thin films grown at 810$^{\circ}$C) is demonstrated by growing at a lower temperature., 5 pages, 6 figures

We present FPDetect, a low overhead approach for detecting logical errors and soft errors affecting stencil computations without generating false positives. We develop an offline analysis that tightly estimates the number of floating-point bits preserved across stencil applications. This estimate rigorously bounds the values expected in the data space of the computation. Violations of this bound can be attributed with certainty to errors. FPDetect helps synthesize error detectors customized for user-specified levels of accuracy and coverage. FPDetect also enables overhead reduction techniques based on deploying these detectors coarsely in space and time. Experimental evaluations demonstrate the practicality of our approach., Comment: Accepted in Journal of ACM Transactions on Architecture and Code Optimization

This work presents the electrostatic analysis of a novel Ga$_2$O$_3$ vertical Schottky diode with three different guard ring configurations to reduce the peak electric field at the metal edges. Highly doped p-type GaN, p-type nonpolar AlGaN and polarization doped graded p-AlGaN are simulated and analyzed as the guard ring material, which forms a heterojunction with the Ga$_2$O$_3$ drift layer. Guard ring with non-polar graded p-AlGaN with a bandgap larger than Ga$_2$O$_3$ is found to show the best performance in terms of screening the electric field at the metal edges. The proposed guard ring configuration is also compared with a reported Ga$_2$O$_3$ Schottky diode with no guard ring and a structure with a high resistive Nitrogen-doped guard ring. The optimized design is predicted to have breakdown voltage as high as 5.3 kV and a specific on-resistance of 3.55 m$��$-cm$^2$ which leads to an excellent power figure of merit of 7.91 GW/cm$^2$.

This paper reports on the modulation of Schottky barrier heights (SBH) on three different orientations of $��$-Ga$_2$O$_3$ by insertion of an ultra-thin SiO$_2$ dielectric interlayer at the metal-semiconductor junction, which can potentially lower the Fermi-level pinning (FLP) effect due to metal-induced gap states (MIGS). Pt and Ni metal-semiconductor (MS) and metal-interlayer-semiconductor (MIS) Schottky barrier diodes were fabricated on bulk n-type doped $��$-Ga$_2$O$_3$ single crystal substrates along the (010), (-201) and (100) orientations and were characterized by room temperature current-voltage (I-V) and capacitance-voltage (C-V) measurements. Pt MIS diodes exhibited 0.53 eV and 0.37 eV increment in SBH along the (010) and (-201) orientations respectively as compared to their respective MS counterparts. The highest SBH of 1.81 eV was achieved on the (010)-oriented MIS SBD using Pt metal. The MIS SBDs on (100)-oriented substrates exhibited a dramatic increment ($>$1.5$\times$) in SBH as well as reduction in reverse leakage current. The use of thin dielectric interlayers can be an efficient experimental method to modulate SBH of metal/Ga$_2$O$_3$ junctions., 8 pages, 10 figures, 2 tables

We report on n-type degenerate doping in MOVPE grown \b{eta}-(Al0.26Ga0.74)2O3 epitaxial thin films and modulation doping in \b{eta}-(Al0.26Ga0.74)2O3/\b{eta}-Ga2O3 heterostructure. Alloy composition is confirmed using HRXRD measurements. Carrier concentration in the thin films is proportional to the silane molar flow. Room temperature hall measurements showed a high carrier concentration of 6x1018-7.3x1019 cm-3 with a corresponding electron mobility of 53-27 cm2/V.s in uniformly-doped \b{eta}-(Al0.26Ga0.74)2O3 layers. Modulation doping is used to realize a total electron sheet charge of 2.3x1012 cm-2 in a \b{eta}-(Al0.26Ga0.74)2O3/\b{eta}-Ga2O3 heterostructure using a uniformly-doped \b{eta}-(Al0.26Ga0.74)2O3 barrier layer and a thin spacer layer.

We report on the origin of high Si flux observed during the use of Si as a doping source in plasma assisted MBE growth of \b{eta}-Ga2O3. We show on the basis of secondary ion mass spectroscopy (SIMS) analysis that Si flux is not limited by the vapor pressure of Si but by the formation of volatile SiO. The low sublimation energy of SiO leads to weak dependence of the SiO flux of Si cell temperature and a strong dependence on the background oxygen pressure. Extended exposure to activated oxygen results in reduction of SiO flux due to the formation of SiO2 on the Si surface. The work reported provides key understanding for incorporating Si into future oxide-based semiconductor heterostructure and device MBE growth., 7 pages (including reference), 3 figures

Fault-tolerant quantum computation promises to solve outstanding problems in quantum chemistry within the next decade. Realizing this promise requires scalable tools that allow users to translate descriptions of electronic structure problems to optimized quantum gate sequences executed on physical hardware, without requiring specialized quantum computing knowledge. To this end, we present a quantum chemistry library, under the open-source MIT license, that implements and enables straightforward use of state-of-art quantum simulation algorithms. The library is implemented in Q#, a language designed to express quantum algorithms at scale, and interfaces with NWChem, a leading electronic structure package. We define a standardized schema for this interface, Broombridge, that describes second-quantized Hamiltonians, along with metadata required for effective quantum simulation, such as trial wavefunction ansatzes. This schema is generated for arbitrary molecules by NWChem, conveniently accessible, for instance, through Docker containers and a recently developed web interface EMSL Arrows. We illustrate use of the library with various examples, including ground- and excited-state calculations for LiH, H$_{10}$, and C$_{20}$ with an active-space simplification, and automatically obtain resource estimates for classically intractable examples., 36 pages, 5 figures. Examples and data in ancillary files folder

Introduction: There are multiple techniques for surgical correction of vesicoureteral reflux (VUR). We compared the outcomes of extravesical versus Cohen's reimplantation for VUR in children. Methods: Records of all children (n = 118) who underwent reimplantation for VUR between 2003 and 2014 were analyzed (male: female = 43:75). Children with secondary VUR, duplication anomalies, and ectopic ureter were excluded from our study. Extravesical reimplantation (EVR) was performed bilateral in 32 children (Group 1a) and unilateral in 19 (Group 1b), while bilateral Cohen's reimplantation was performed in 67 (Group 2). Parameters compared were length of the surgical procedure, average duration of stay in the hospital, postoperative bladder spasms, significant hematuria >72 h, and long-term complications. Results: The mean age at operation was 15 months in Group 1, and 36 months in Group 2. The mean duration of surgery was significantly less (P = 0.0001) in Group 1a (n = 32; mean 104 min; standard deviation [SD] 18 min) compared to Group 2 (n = 67; mean 128 min; SD 15 min). The mean (SD) postoperative stay was significantly lower (P = 0.0001) at 4.5 (1.5) days in Group 1a compared to 6.5 (0.5) days in Group 2. Postoperative bladder spasms were significantly lower (P = 0.03) at 10/32 in Group 1a compared to 37/67 in Group 2. All patients responded well with anticholinergics. Postoperative hematuria and bladder spasms were significantly lower (P = 0.03) in Group 1a compared to Group 2. There was no significant difference in persistent VUR between Group 1 and Group 2. At 1 year follow, none of them had any evidence of ureteral obstruction. Conclusions: EVR has lower operative time, less postoperative discomfort and shorter hospital stay compared to Cohen's reimplantation. Both techniques are equally effective in treating reflux.

We demonstrate self-powered \b{eta}-Ga2O3 deep-UV metal-semiconductor-metal (MSM) photodetectors (PD) with 0.5% external quantum efficiency (EQE) at zero bias. 150 nm thick (-201)-oriented epitaxial \b{eta}-Ga2O3-films were grown on c-plane sapphire using plasma-assisted MBE. Ni/Au and Ti/Au metal stacks were deposited as contacts to achieve asymmetric Schottky barrier heights in interdigitated finger architecture for realizing self-powered photodetectors. Current-voltage characteristics (photo and dark), time-dependent photocurrent and spectral response were studied and compared with conventional symmetric MSM PD with Ni/Au as the Schottky metal contact, fabricated on the same sample. The asymmetric, self-powered devices exhibited solar-blind nature and low dark current < 10 nA at 15 V with high photo-to-dark current ratio of ~ 103. The dark and photocurrents were asymmetric with respect to the applied bias and the responsivity in the forward bias was characterized by gain. The detectors (asymmetric-MSM) were found to exhibit a responsivity of 1.4 mA/W at 255 nm under zero-bias condition (corresponding to an EQE ~ 0.5 %), with a UV-to-Visible rejection ratio ~ 102 and ~105 at 0 V and 5 V respectively., 5 figures, 1 table

Maintaining leadership in HPC requires the ability to support simulations at large scales and fidelity. In this study, we detail one of the most significant productivity challenges in achieving this goal, namely the increasing proclivity to bugs, especially in the face of growing hardware and software heterogeneity and sheer system scale. We identify key areas where timely new research must be proactively begun to address these challenges, and create new correctness tools that must ideally play a significant role even while ramping up toward exacale. We close with the proposal for a two-day workshop in which the problems identified in this report can be more broadly discussed, and specific plans to launch these new research thrusts identified., Comment: 57 pages

The integration of two-dimensional materials such as transition metal dichalcogenides with bulk semiconductors offer interesting opportunities for 2D/3D heterojunction-based novel device structures without any constraints of lattice matching. By exploiting the favorable band alignment at the GaN/MoS2 heterojunction, an Esaki interband tunnel diode is demonstrated by transferring large area, Nb-doped, p-type MoS2 onto heavily n-doped GaN. A peak current density of 446 A/cm2 with repeatable room temperature negative differential resistance, peak to valley current ratio of 1.2, and minimal hysteresis was measured in the MoS2/GaN non-epitaxial tunnel diode. A high current density of 1 kA/cm2 was measured in the Zener mode (reverse bias) at -1 V bias. The GaN/MoS2 tunnel junction was also modeled by treating MoS2 as a bulk semiconductor, and the electrostatics at the 2D/3D interface was found to be crucial in explaining the experimentally observed device characteristics.

A high threshold voltage enhancement-mode GaN HEMT with p-type doped buffer is discussed and simulated. Analytical expressions are derived to explain the role of buffer capacitance in designing and enhancing threshold voltage. Simulations of the proposed device with p-type buffer show threshold voltages above 5 V, and a positive shift in threshold voltage as the oxide capacitance is reduced, thus enabling threshold voltage tunability over an unprecedented range for GaN-based HEMTs. The electric field profiles, breakdown performance, on-resistance and delay tradeoffs in the proposed pGaN back HEMT device are also discussed., Comment: 6 pages, 7 figures

We report on the direct measurement of two-dimensional sheet charge density dependence of electron transport in AlGaN/GaN high electron mobility transistors. Pulsed IV measurements established increasing electron velocities with decreasing sheet charge densities, resulting in saturation velocity of 1.9 x 10^7 cm/s at a low sheet charge density of 7.8 x 10^11 cm-2. A new optical phonon emission-based electron velocity model for GaN is also presented. It accommodates stimulated LO phonon emission which clamps the electron velocity with strong electron-phonon interaction and long LO phonon lifetime in GaN. A comparison with the measured density-dependent saturation velocity shows that it captures the dependence rather well. Finally, the experimental result is applied in TCAD-based device simulator to predict DC and small signal characteristics of a reported GaN HEMT. Good agreement between the simulated and reported experimental results validated the measurement presented in this report and established accurate modeling of GaN HEMTs., Comment: 11 pages, 7 figures

A high threshold voltage enhancement-mode GaN HEMT with p-type doped buffer is discussed and simulated. Analytical expressions are derived to explain the role of buffer capacitance in designing and enhancing threshold voltage. Simulations of the proposed device with p-type buffer show threshold voltages above 5 V, and a positive shift in threshold voltage as the oxide capacitance is reduced, thus enabling threshold voltage tunability over an unprecedented range for GaN-based HEMTs. The electric field profiles, breakdown performance, on-resistance and delay tradeoffs in the proposed pGaN back HEMT device are also discussed., 6 pages, 7 figures

Layered metal dichalcogenide materials are a family of semiconductors with a wide range of energy band gaps and properties, and potential to open up new areas of physics and technology applications. However, obtaining high crystal quality thin films over a large area remains a challenge. Here we show that chemical vapor deposition (CVD) can be used to achieve large area electronic grade single crystal Molybdenum Disulfide (MoS2) thin films with the highest mobility reported in CVD grown films so far. Growth temperature and choice of substrate were found to critically impact the quality of film grown, and high temperature growth on (0001) orientated sapphire yielded highly oriented single crystal MoS2 films for the first time. Films grown under optimal conditions were found to be of high structural quality from high-resolution X-ray diffraction, transmission electron microscopy, and Raman measurements, approaching the quality of reference geological MoS2. Photoluminescence and electrical measurements confirmed the growth of optically active MoS2 with a low background carrier concentration, and high mobility. The CVD method reported here for the growth of high quality MoS2 thin films paves the way towards growth of a variety of layered 2D chalcogenide semiconductors and their heterostructures.

Acute inflammation and its resolution are essential processes for tissue protection and homeostasis. In this context, specialized proresolving mediators derived from polyunsaturated fatty acids are of interest. In this study, we report that resolvin E2 (RvE2) from eicosapentaenoic acid is endogenously produced during self-limited murine peritonitis in both the initiation and resolution phases. RvE2 (1-10 nM) carries potent leukocyte-directed actions that include: 1) regulating chemotaxis of human neutrophils; and 2) enhancing phagocytosis and anti-inflammatory cytokine production. These actions appear to be mediated by leukocyte G-protein-coupled receptors as preparation of labeled RvE2 gave direct evidence for specific binding of radiolabeled RvE2 to neutrophils (K(d) 24.7 ± 10.1 nM) and resolvin E1 activation of recombinant G-protein-coupled receptors was assessed. In addition to the murine inflammatory milieu, RvE2 was also identified in plasma from healthy human subjects. RvE2 rapidly downregulated surface expression of human leukocyte integrins in whole blood and dampened responses to platelet-activating factor. Together, these results indicate that RvE2 can stimulate host-protective actions throughout initiation and resolution in the innate inflammatory responses.