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We demonstrate a non-monotonic evolution of in-plane thermal conductivity of large-area hexagonal boron nitride films with thickness. Wrinkles and defects/impurities are present in these films. Raman spectroscopy, an optothermal non-contact technique, is employed to probe the temperature and laser power dependence property of the Raman active E2ghigh phonon mode, which, in turn, is used to estimate the rise in the temperature of the films under different laser powers. As the conventional Fourier law of heat diffusion cannot be directly employed analytically to evaluate the thermal conductivity of these films with defects and wrinkles, finite-element modeling is used instead. In the model, average heat resistance is used to incorporate an overall near-surface defect structure, and Voronoi cells with contact resistance at the cell boundaries are constructed to mimic the wrinkled domains. The effective in-plane thermal conductivity is estimated to be 87, 55, and 117 W/m K for the 2, 10, and 30 nm-thick films, respectively. We also present a quantitative estimation of the thermal resistance by defects and wrinkles individually to the heat flow. Our study reveals that the defects/impurities render a much higher resistance to heat transfer in the films than wrinkles. [ABSTRACT FROM AUTHOR]

Recently, the electron mobility in wedge-shaped c-GaN nanowall networks has been estimated to cross the theoretical mobility limit for bulk GaN. Significant blue-shift of the bandgap has also been observed. Both the findings are explained in terms of two-dimensional electron gas (2DEG) formed at the central vertical plane of the walls due to the polarization charges at the two inclined faces. Carrier concentration and mobility have earlier been determined from thermoelectric power and conductivity measurements with the help of a statistical model. Due to the network nature of the system, direct measurements of these quantities from Hall experiments are not possible. Search for a better way to estimate mobility in this system thus becomes important. Since, strain can also lead to the blue-shift of the bandgap, it is also imperative to evaluate carefully the role of strain. Here, using Raman spectroscopy, we have estimated carrier concentration and mobility in these nanowall networks with varied average tip-widths. Depth distribution of strain and luminescence characteristics are also studied. The study reveals that strain has no role in the bandgap enhancement. Moreover, the electron mobility, which is determined from the lineshape analysis of the A1(LO)-plasmon coupled mode in Raman spectra, has been found to be significantly higher than the theoretical limit of mobility for bulk GaN for the same electron concentration. These results thus corroborate the picture of polarization induced vertical 2DEG formation in these walls as predicted theoretically. [ABSTRACT FROM AUTHOR]

Wafer-scale thin films of hexagonal boron nitride have exceptional thermal and mechanical properties, which harness the potential use of these materials in two-dimensional electronic, device applications. Along with unavoidable defects, grains, and wrinkles, which develop during the growth process, underlying substrates influence the physical and mechanical properties of these films. Understanding the interactions of these large-scale films with different substrates is, thus, important for the implementation of this 2D system in device fabrication. MOVPE-grown 2 and 30 nm hBN/sapphire films of size 2 in. diameter are delaminated chemically and transferred on quartz, SiO2/Si, and sapphire substrates. The structural characteristics of these films are investigated by employing Raman spectroscopy. Our results suggest that not only the roughness but also the height modulation at the surface of the substrates play a pivotal role in determining substrate-mediated mechanical strain inhomogeneity in these films. The statistical analysis of the spectral parameters provides us with the overall characteristics of the films. Furthermore, a Stark difference in the thermal evolution of strain in these films depending on substrate materials is observed. It has been demonstrated that not only the differential thermal expansion coefficient of the substrates and the films, but also slippage of the latter during the thermal treatment determines the net strain in the films. The role of the slippage is significantly higher in 2 nm films than in 30 nm films. We believe that the observations provide crucial information on the structural characteristics of the substrate-coupled wafer-scale hBN films for their future use in technology. [ABSTRACT FROM AUTHOR]

We report a detailed ab initio study of two superlattice heterostructures, one component of which is a unit cell of CuPt ordered InSb 0.5 As 0.5 . This alloy part of the heterostructures is a topological semimetal. The other component of each system is a semiconductor, zincblende-InSb, and wurtzite-InAs. Both heterostructures are semiconductors. Our theoretical analysis predicts that the variation in the thickness of the InSb layer in InSb/InSb 0.5 As 0.5 heterostructure renders altered bandgaps with different characteristics (i.e., direct or indirect). The study holds promise for fabricating heterostructures, in which the modulation of the thickness of the layers changes the number of carrier pockets in these systems. [ABSTRACT FROM AUTHOR]

Half-metallic ferromagnetic full Heusler alloy NiFeMnSn is a promising material in spintronic device fabrication as it carries high spin polarization and high Curie temperature (Tc = 405 K). Understanding electronic excitations in a spin-polarized band structure is essential for the further use of this material in spin-based devices and to optimize the spin-dependent electronic structure in related compounds. In this Letter, we report electronic Raman scattering of NiFeMnSn with spectral signatures at a higher wavenumber than expected from the calculated phonon modes of the system. Temperature-dependent Raman spectroscopy demonstrates a non-monotonic behavior of the Raman shift with temperature across Tc. The orbital resolved electronic density of states and electronic band structure for both spin channels of the system, as obtained from the first principles density functional theory calculations, suggest that the observed Raman signatures originate from the Fe d orbital and its splitting due to the crystal field near the Fermi level. Furthermore, a strong magnetic field dependence of the spectral profile is observed. The study not only exhibits electronic Raman scattering in a Heusler alloy compound, which was unexplored to date, but also establishes Raman scattering as a promising probe to study the orbital-resolved partial density of states in the band structure near the Fermi level of a Heusler alloy. [ABSTRACT FROM AUTHOR]

The underlying physics which explains the role of cationic and anionic defect dynamics in determining the catalytic activity and ionic conductivity of aliovalent ion-doped ceria is complex and not yet fully understood. To address this issue, we have investigated the structural evolution of LaxCe1-xO2–δ, where x =0.1, 0.2, 0.3, 0.4, and 0.5. Rietveld refinements of the X-ray diffraction patterns reveal that the crystal structure belongs to a disordered fluorite phase for all samples. We find a systematic increase in the lattice parameter along with a gradual decrease in oxygen site occupancy with the increase in La3+ doping concentration. In Raman spectra of doped compounds, other than well-known crystalline F2g and defect related modes, we observe the presence of an additional Raman mode. The Raman line-shape analysis indicates the non-resonant Fröhlich character of this mode. Temperature dependent Raman measurements demonstrate unique characteristics of this Raman peak. In addition, from the change in relative intensity ratio of the Raman modes related to different types of defect states, we show that vacancies cannot be considered as isolated defects beyond a critical doping level. We propose that the evolution of Raman intensities of defect related modes and Fröhlich mode with the doping level can be used as a marker to determine the role of electron-phonon coupling and anion vacancies in the catalytic activity of doped ceria. Furthermore, by studying the photocatalytic measurements for La3+ doped ceria compounds, we demonstrate that the anion vacancies do not always play a direct role in controlling functional properties. [ABSTRACT FROM AUTHOR]

We embarked on a study of Scandium (Sc) doped (onto Ga site) gallium ferrite (GaFeO3) and found remarkable magnetic properties. In both doped as well as parent compounds, there were three types of Fe3+ions (depending on the symmetry) with the structure conforming to space group Pna21 (Sp. Grp. No. 33) below room temperature down to 5 K. We also found that all Fe3+ions occupy octahedral sites, and carry high spin moment. For the higher Sc substituted sample (Ga1-xScxFeO3:x = 0.3), a canted magnetic ordered state is found. Spin-phonon coupling below Néel temperature was observed in doped compounds. Our results indicated that Sc doping in octahedral site modifies spin-phonon interactions of the parent compound. The spin-phonon coupling strength was estimated for the first time in these Sc substituted compounds. [ABSTRACT FROM AUTHOR]

With more widespread applications of nanotechnology, heat dissipation in nanoscale devices is becoming a critical issue. We study the thermal response of wafer-scale hexagonal boron nitride (hBN) layers, which find potential applications as ideal substrates in two dimensional devices. Sapphire-supported thin hBN films, 2′′ in size and of different thicknesses, were grown using metalorganic vapour phase epitaxy. These large-scale films exhibit wrinkles defects and grain boundaries over their entire area. The shift of phonon mode with temperature is analysed by considering the cumulative contribution of anharmonic phonon decay along with lattice thermal expansion, defect, and strain modulation. The study demonstrates that during heat treatment the strain evolution plays a dominating role in governing the characteristics of the wrinkled thinner films. Interestingly we find that both defects and strain determine the spectral line-width of these wafer-scale films. To the end, from Raman line-width, the changes in phonon lifetime in delaminated and as-grown films is estimated. The results suggest the possibility of a reduction in thermal transport in these wafer-scale films compared to their bulk counterpart. [ABSTRACT FROM AUTHOR]

Rare earth indates are an interesting class of compounds with rich crystallography. The present study explores the crystallographic phases observed in REInO3 (RE: La–Yb) systems and their dependence on synthesis routes and annealing temperature. All REInO3 compositions were synthesized by a solid state route as well as gel-combustion synthesis (GC) followed by annealing at different temperatures. The systems were well characterized by powder XRD studies and were analysed by Rietveld refinement for the structural parameters. The cell parameters were observed to decrease in accordance with the trend in ionic radii on proceeding from lighter to heavier rare earth ions. Interestingly, the synthesis route and the annealing temperature had a profound bearing on the phase relationships observed in the REInO3 series. The solid state synthesized samples depicted an orthorhombic phase (Pbnm) field for LaInO3 to SmInO3, followed by a hexagonal-type phase (P63cm) for GdInO3 to DyInO3. However, the phase field distribution was greatly influenced upon employing gel-combustion (GC) wherein both single-phasic hexagonal and orthorhombic phase fields were found to shrink. Annealing the GC-synthesized compositions to still higher temperatures (1250 °C) further evolved the phase boundaries. An important outcome of the study is observance of polymorphism in SmInO3 which crystallized in the hexagonal phase when synthesized by GC and orthorhombic phase by solid state synthesis. This reveals the all-important role played by synthesis conditions. The existence and energetics of the two polymorphs have been elucidated and discussed with the aid of theoretical studies. [ABSTRACT FROM AUTHOR]

In this article, we compare the excitation wavelength dependence of the polarization anisotropy (ρ) of an internal field induced Raman scattering signal in individual bare InAs and InAs/GaSb core-shell nanowires. The measured value of ρ of the Raman scattering intensity for InAs/GaSb core-shell nanowires has a minimum at ∼500 nm, while for the bare InAs nanowire, the value of ρ monotonically increases over the same range of wavelengths. We have modeled the scattering intensities of both systems by considering the joint role of Raman tensor components and confinement of electromagnetic radiation inside the nanowire at two orthogonal polarization configurations of the electromagnetic radiation. The theoretical results allow us to understand that the observed behavior of ρ is related to the nanowire geometry and to the difference in the wavelength dependence of the dielectric constants of InAs and GaSb. This work shows the possibility of manipulating the polarization anisotropy by selecting suitable diameters and materials for the core and the shell of the nanowire. We also report a six-fold increase in Raman scattering intensity due to the GaSb shell on InAs nanowires. [ABSTRACT FROM AUTHOR]

Raman spectroscopy and Hall measurements have been carried out to investigate the differences in near-surface charge carrier modulation in high energy (~100 MeV) silicon ion (Si8+) and oxygen ion (O7+) irradiated n-GaAs. In the case of O ion irradiation, the observed decrease in carrier concentration with increase in ion fluence could be explained in the view of charge compensation by possible point defect trap centers, which can form because of elastic collisions of high energy ions with the target nuclei. In Si irradiated n-GaAs one would expect the carrier compensation to occur at a fluence of 2.5 × 1013 ions/cm2, if the same mechanism of acceptor state formation, as in case of O irradiation, is considered. However, we observe the charge compensation in this system at a fluence of 5 × 1012 ions/cm2. We discuss the role of the complex defect states, which are formed because of the interaction of the primary point defects, in determining carrier concentration in a Si irradiated n-GaAs wafer. The above results are combined with the reported data from the literature for high energy silver ion irradiated n-GaAs, in order to illustrate the effect of both electronic and nuclear energy loss on trap creation and charge compensation. Copyright © 2016 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

We study band alignment in wurtzite/zinc-blende polytype InAs heterostructured nanowires using temperaturedependent resonance Raman measurements. Nanowires having two different wurtzite fractions are investigated. Using visible excitation wavelengths in resonance Raman measurements, we probe the electronic band alignment of these semiconductor nanowires near a high-symmetry point of the Brillouin zone (E1 gap). The strain in the crystal structure, as revealed from the shift of the phonon mode, explains the observed band alignment at the wurtzite/zinc-blende interface. Our experimental results are further supported by electronic-structure calculations for such periodic heterostructured interface. [ABSTRACT FROM AUTHOR]

The article presents a mapping of the residual strain along the axis of InAs/InSb heterostructured nanowires. Using confocal Raman measurements, we observe a gradual shift in the transverse optical phonon mode along the axis of these nanowires. We attribute the observed shift to a residual strain arising from the InAs/InSb lattice mismatch. We find that the strain is maximum at the interface and then monotonically relaxes towards the tip of the nanowires. We also analyze the crystal structure of the InSb segment through selected area electron diffraction measurements and electron diffraction tomography on individual nanowires. [ABSTRACT FROM AUTHOR]

Human serum albumin (HSA), the most abundant plasma protein in the human body is known to form fibrils under partial denaturing conditions. Natural polyphenols are known to interact with HSA and some polyphenols have been shown to be potent inhibitors of amyloid fibrillation. (−)-Epigallocatechin gallate (EGCG), the major component of green tea is known to inhibit amyloid fibrillation. In this report, we have investigated the effect of EGCG on native HSA as well as on the fibrillation process of HSA from amide III band analysis of their respective visible Raman spectra. The differential role of the tryptophan (Trp214) residue present in domain II of HSA in the absence and presence of EGCG has been pointed out using fluorescence anisotropy and visible Raman spectroscopy. [ABSTRACT FROM AUTHOR]

Microwave radiations from various electronic devices are of serious health concern. In this article, using spectroscopic measurements, we show that the microwave radiation of strength 22 dBm and frequency 10 GHz facilitates protein fibrillation. However, this adverse effect of low-field radiation can be restricted by the presence of biocompatible citrate-capped gold nanoparticles. The dissipative field by metallic particles is able to disrupt the fibrillar network. We believe that the obtained results paved a way to find a therapeutic measure to combat fibrillation related diseases. [ABSTRACT FROM AUTHOR]

Single crystals of the iron-pnictide compound BaFe 2 (As 1 − x P x) 2 for x ∼ 0.23, with a doping concentration near quantum criticality and enhanced nematic fluctuating state in the doping-temperature phase diagram, have been studied. Transport measurements confirm the presence of a magneto-structural transition at 60 K from the tetragonal to the orthorhombic phase, followed by a superconducting transition below 16 K. Micro-Raman spectra of the compound exhibit a phonon mode at 211 cm−1 and two broad modes (BMs) at 515 cm−1 and 635 cm−1, which corresponds to an energy difference of 15 meV. The temperature dependent Raman measurements reveal that the intensity of these BMs drop over the temperature range between 80 K and 300 K. In the non-superconducting state, strong anisotropic behaviour is observed for these BMs in polarization dependent Raman scattering. Electronic structure calculations for doped and undoped BaFe 2 As 2 show that while Fe d x z and d y z orbitals do not split in the tetragonal phase, the splitting energy is 13.5 meV in the orthorhombic phase of the doped system, which is reasonably close to the experimentally observed value of the energy separation of the BMs. We believe that the reported BMs are consistent with the signature of electronic Raman scattering involving the crystal field levels of d -orbitals of Fe2＋ due to local breaking of the C 4 symmetry in the doped system. • Local symmetry breaking in tetragonal phase of P doped BaFe 2 As 2 near quantum critical point. • Signature of crystal field splitting using temperature dependent micro Raman spectroscopy. • Calculation of Fe d orbitals split energies in local orthorhombic phase using DFT. [ABSTRACT FROM AUTHOR]

In this article, we report negative thermal expansion and spin frustration in hexagonal GdInO3. Rietveld refinements of the x-ray diffraction patterns reveal that the negative thermal expansion in the temperature range of 50-100 K stems from the triangular lattice of Gd3+ ions. The downward deviation of the low-temperature inverse susceptibility (χ-1) versus T plot from the Curie-Weiss law and the large value of the ratio, 0CW|/TN>28, where θCW and TN are respectively Curie-Weiss and Neel temperature, indicate a strong spin frustration, which inhibits long-range magnetic ordering down to 1.8 K. Magnetostriction measurements clearly demonstrate a spin-lattice coupling in the system. Low-temperature anomalous phonon softening, as obtained from temperature-dependent Raman measurements, also reveals the same. Our experimental observations are supported by first-principles density functional theory calculations of the electronic and phonon dispersion in GdInO3. The calculations suggest that the GdInO3 lattice is highly frustrated at low temperature. Further, the calculated normal mode frequencies of the Gd-related G point phonon modes reveal significant magnetoelastic coupling in this system. The competitive role of magnetic interaction energy and thermal stabilization energy in determining the change in interatomic distances is the possible origin for the negative thermal expansion in GdInO3 over a limited range of temperature. [ABSTRACT FROM AUTHOR]

In this study, we attempt to find the origin of atypical doping concentration dependant electrical properties of group III element (Al, Ga, In) doped ZnO thin films. The carrier density and mobility of these films are measured and compared for a wide range of doping concentrations. It is found that donor density determines the electrical properties of the films for a low level of doping, whereas lattice defects play a dominant role beyond a certain level of doping concentration. We also demonstrate an interrelationship between the electrical properties and the structural/optical properties of the films. We find 2% as optimum doping concentration for Al-, Ga- or In-doped ZnO for obtaining highest conducting layers and Ga emerges as the most effective dopant among all. [ABSTRACT FROM AUTHOR]

In vitro fibrillation of hen egg white lysozyme (HEWL) causes complete reduction of Cu(II) to Cu(I) at pH 7. Here in the present article, we have shown the presence of both Cu(II) and Cu(I) at pH 11 during fibrillation of HEWL using electron paramagnetic resonance and Raman spectroscopy. Our results suggest the existence of a partially reducing environment during fibrillation of hen egg white lysozyme at pH 11. The fibrillation process is governed by the pH of the solution and maximum fibrillation is found to occur at pH 11. Fibrils formed in the absence of Cu(II) were also found to cause significant hemolysis of RBC. [ABSTRACT FROM AUTHOR]

The phase stability of zirconia (ZrO 2) under external perturbation draws the attention of researchers, as it governs the practical use of this material in technological applications. In this article, the phase transition in zinc oxide (ZnO) doped ZrO 2 is addressed by exploiting complementary methodologies, X-ray diffraction, and Raman spectroscopic measurements. We have observed a pressure-induced partial phase transformation in the doped ZrO 2 system for a compacting pressure of less than 1 GPa. It is noteworthy that the level of compacting pressure used in this study is much lower than the range of pressure, reported in the literature, for observing phase transition in pure and doped ZrO 2 using other high-pressure experiments. To understand the underlying dynamics of low pressure-induced phase transformation, we carried out density functional theory calculations for the doped supercell. We have discussed the local bonding environment around the dopant metal ion (Zn2+ in the present case), which, we believe, leads to the phase evolution in a real system. [ABSTRACT FROM AUTHOR]

We have investigated the nonthermal effect of 10 GHz/22 dBm microwave radiation on hen egg-white lysozyme (HEWL) over different irradiation times, ranging from 2 min to 1 h. To ensure a control over the radiation parameters, a pair of microwave rectangular waveguides is used to irradiate the samples. Optical spectroscopic measurements, which include UV-visible absorption spectroscopy, Raman spectroscopy, and far UV CD spectroscopy, reveal the exposure of the buried tryptophan (Trp) residues of the native molecule between 15 and 30 min of radiation. The higher duration of the perturbation leads to a compact structure of the protein and Trp residues are buried again. Interestingly, we do not find any change in the secondary structure of the protein even for 1 h duration of radiation. The relaxation dynamics of the irradiated molecules also has been discussed. We have shown that the molecules relax to their native configuration in 7-8 h after the radiation field is turned off. The structural rearrangement over the above timescale has further been probed by a model calculation, based on a modified Langevin equation. Our coarse-grained simulation approach utilizes the mean of atomic positions and net atomic charge of each amino acid of native HEWL to mimic the initial conformation of the molecule. The modified positions of the residues are then calculated for the given force fields. The simulation results reveal the nonmonotonous change in overall size of the molecule, as observed experimentally. The radiation parameters used in our experiments are very similar to those of some of the electronic devices we often come across. Thus, we believe that the results of our studies on a simple protein structure may help us in understanding the effect of radiation on complex biological systems as well. [ABSTRACT FROM AUTHOR]

Phonon modes and their association with the electronic states have been investigated for the metallic EuCu 2 As 2 system. In this work, we present the Raman spectra of this pnictide system which clearly shows the presence of seven well defined peaks above 100 cm -1 that is consistent with the locally non-centrosymmetric P4/nmm crystal structure, contrary to that what is expected from the accepted symmorphic I4/mmm structure. Lattice dynamics calculations using the P4/nmm symmetry attest that there is a commendable agreement between the calculated phonon spectra at the Γ point and the observed Raman mode frequencies, with the most intense peak at∼232 cm -1 being ascribed to the A1gmode. Temperature dependent Raman measurements show that there is a significant deviation from the expected anharmonic behaviour around 165 K for the A1gmode, with anomalies being observed for several other modes as well, although to a lesser extent. Attempts are made to rationalize the observed anomalous behavior related to the hardening of the phonon modes, with parallels being drawn from metal dichalcogenide and allied systems. Similarities in the evolution of the Raman peak frequencies with temperature seem to suggest a strong signature of a subtle electronic density wave instability below 165 K in this compound., (© 2024 IOP Publishing Ltd.)

Various electronic devices, which we commonly use, radiate microwaves. Such external perturbation influences the functionality of biomolecules. In an ultralow field, the cumulative response of a molecule is expected only over a time scale of hours. To study the structural dynamics of biomolecules over hours, we adopt a simple methodology for constructing the coarse-grained structure of the protein molecule and solve the Langevin equation under different working potentials. In this approach, each amino acid residue of a biomolecule is mapped onto a number of beads, a few for the backbone, and few for the side chain, depending on the complexity of its chemical structure. We choose the force field in such a way that the dynamics of the protein molecule in the presence of ultralow radiation field of microvolt/nm could be followed over the time frame of 2 h. We apply the model to describe a biomolecule, hen egg white lysozyme, and simulate its structural evolution under ultralow strength electromagnetic radiation. The simulation revealed the finer structural details, like the extent of exposure of bioactive residues and the state of the secondary structures of the molecule, further confirmed from spectroscopic measurements [details are available in Phys. Rev. E 97, 052416 (2018)10.1103/PhysRevE.97.052416 and briefly described here]. Though tested for a specific system, the model is quite general. We believe that it harnesses the potential in studying the structural dynamics of any biopolymer under external perturbation over an extended time scale.

Rare earth indates are an interesting class of compounds with rich crystallography. The present study explores the crystallographic phases observed in REInO3 (RE: La-Yb) systems and their dependence on synthesis routes and annealing temperature. All REInO3 compositions were synthesized by a solid state route as well as gel-combustion synthesis (GC) followed by annealing at different temperatures. The systems were well characterized by powder XRD studies and were analysed by Rietveld refinement for the structural parameters. The cell parameters were observed to decrease in accordance with the trend in ionic radii on proceeding from lighter to heavier rare earth ions. Interestingly, the synthesis route and the annealing temperature had a profound bearing on the phase relationships observed in the REInO3 series. The solid state synthesized samples depicted an orthorhombic phase (Pbnm) field for LaInO3 to SmInO3, followed by a hexagonal-type phase (P63cm) for GdInO3 to DyInO3. However, the phase field distribution was greatly influenced upon employing gel-combustion (GC) wherein both single-phasic hexagonal and orthorhombic phase fields were found to shrink. Annealing the GC-synthesized compositions to still higher temperatures (1250 °C) further evolved the phase boundaries. An important outcome of the study is observance of polymorphism in SmInO3 which crystallized in the hexagonal phase when synthesized by GC and orthorhombic phase by solid state synthesis. This reveals the all-important role played by synthesis conditions. The existence and energetics of the two polymorphs have been elucidated and discussed with the aid of theoretical studies.

The structural and magnetic properties of the Y 1-x Tb x MnO 3 (0.1  ⩽  x  ⩽  0.3) compounds were investigated. Neutron diffraction patterns for all three samples, recorded at room temperature (RT), were fitted to the nuclear structure confirming the paramagnetic nature of the compounds. At 2.8 K, for the x  =  0.1 sample magnetic moments of the Tb 3+ ionic as well as Mn 3+ ionic were ordered. At 5 K for the x  =  0.2 sample only the Mn 3+ ionic magnetic moments were ordered. There were six sites for Mn atoms. Three on the z  =  0 plane and three on the z  =  0.5 plane (where z corresponds to  +c axis).The Mn 3+ ionic moments were confined to the a-b plane with a net magnitude of 2.78(3) µ B , and 2.90(3) µ B for the x  =  0.1 and the x  =  0.2 samples. The Tb 3+ ionic moments had a magnitude of 1.36(4) µ B at 2.8 K and were aligned antiferromagnetically along the crystallographic c-axis for the x  =  0.1 sample. The low moment in comparison with Mn 3+ free ions has been attributed to crystalline electric fields similar to that found in the parent compound YMnO 3 and also in another rare earth manganite viz HoMnO 3 . The x  =  0.3 sample was found to be a canonical spin glass. To investigate the role of the above spin ordering in Y 1-x Tb x MnO 3 in governing the phonon dynamics, temperature dependent Raman measurements were carried out. We observed the deviation of the phonon frequency near 685 cm -1 and its line-width from the expected anharmonic behaviour around magnetic ordering temperature for Tb substituted compounds with x  =  0.1 and 0.2. This was attributed to the spin-phonon coupling in these systems. The anomalous behaviour of this phonon mode in the canonical spin glass compound with x  =  0.3, indicated that the coupling sustained even in the presence of only local magnetic ordering.

Herein, we report the graded electronic band gap along the axis of individual heterostructured WZ-ZB InAs/InSb 0.12 As 0.88 nanowires. Resonance Raman imaging has been exploited to map the axial variation in the second excitation gap energy (E 1 ) at the high symmetry point (L point) of the Brillouin zone. We relate the origin of the observed evolution of the gap energy to the fine tuning of the alloy composition from the tip towards the interface of the nanowire. The electronic band structures of InAs, InSb and InSb x As 1-x alloy systems at x = 0.125, 0.25, 0.50, 0.75 and 0.875, using the all electron density functional theory code Wien2k, are reported. The measured band gap along the axis of the InAs/InSb 0.12 As 0.88 nanowire is correlated with the calculated gap energy at the A point and the L point of the Brillouin zone for InAs and InSb 0.125 As 0.875 , respectively. We draw a one-to-one correspondence between the variation of the E 1 gap and the fundamental E 0 gap in the calculated electronic band structure and propose the graded fundamental gap energy across the axis of the nanowire.

In this article we demonstrate type-II band alignment at the wurtzite/zinc-blende hetero-interface in InAs polytype nanowires using resonance Raman measurements. Nanowires were grown with an optimum ratio of the above mentioned phases, so that in the electronic band alignment of such NWs the effect of the difference in the crystal structure dominates over other perturbing effects (e.g. interfacial strain, confinement of charge carriers and band bending due to space charge). Experimental results are compared with the band alignment obtained from density functional theory calculations. In resonance Raman measurements, the excitation energies in the visible range probe the band alignment formed by the E 1 gap of wurtzite and zinc-blende phases. However, we expect our claim to be valid also for band alignment near the fundamental gap at the heterointerface.