X-ray spectra and electronic band structure of nitrogen in Al<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Ga<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>N solid solid solutions

The electronic energy structure of the valence band and the x-ray absorption near edge structure (XANES) region of nitrogen in Al _x Ga_1?x N solid solutions and binary crystals of gallium nitride GaN and aluminum nitride AlN are calculated using the local coherent potential method and the cluster version of the muffin-tin approximation within the framework of the multiple scattering theory. It is demonstrated that the calculated electron densities of states correlate with the nitrogen K x-ray emission and nitrogen K x-ray absorption spectra. The electronic energy structure of the top of the valence band and the XANES region in Al _x Ga_1?x N solid solutions are compared with those in the binary crystals of the GaN and AlN nitrides, and an interpretation of their specific features is proposed. An analogy is drawn between the evolution of the electronic energy structure of the valence band and the XANES region in the alloys under investigation and the evolution of the electronic band structure in the Al _x B_1?x N and B _x Ga_1?x N alloys. General trends in the transformation of the structure and variations in properties of these alloys are discussed.     

Intrinsic and Zn-, Ce-, Tb-, Er-, Sm-, and Eu-Activated photoluminescence of pseudoamorphous GaN and InGaN thin films

Thin films of pseudoamorphous GaN (a-nc-GaN), as well as of its alloys with indium, In_xGa_1−x N (x=0.04, 0.16), were prepared by magnetron sputtering of a metallic target in the plasma of a reactive nitrogen and argon mixture. The a-nc-GaN films were codoped by the Zn acceptor impurity and a set of rare-earth metal (REM) dopants, namely, Ce, Tb, Er, Sm, and Eu. Photoluminescence (PL) spectra excited by a nitrogen laser with wavelength λ=337 nm at room temperature and 77 K were measured for all compositions and a set of impurities. It was shown that the high-energy PL edge of the pseudoamorphous (a-nc) GaN matrix lies at the same energy as that of the crystalline (epitaxial) c-GaN. As in c-GaN, the Zn acceptor impurity stimulates blue luminescence; however, the PL spectrum is substantially more diffuse, with practically no temperature quenching of the PL present. Indium doping in an amount of 16 at. % results in strong PL with a diffuse peak at 2.1–2.2 eV; the PL of the alloy exhibits temperature quenching as high as a factor of three to four in the interval 77–300 K. The decay time of the PL response increases up to 50 μs. RE impurities enter the amorphous GaN host as trivalent ions and produce narrow-band (except Ce) high-intensity spectra, thus indicating both a high solubility of RE impurities in a-nc-GaN and the generation of an effective crystal field (by the GaN anion sublattice) whose local symmetry makes the intracenter f-f transitions partly allowed. __________ Translated from Fizika Tverdogo Tela, Vol. 45, No. 3, 2003, pp. 395–402. Original Russian Text Copyright ? 2003 by Andreev.     

A structural,magnetostrictive and Mössbauer study of Tb<Subscript>0.3</Subscript>Dy<Subscript>0.7</Subscript>(Fe<Subscript>0.9</Subscript><Emphasis Type="Italic">T</Emphasis><Subscript>0.1</Subscript>)<Subscript>1.95</Subscript> alloys

The effect of IIIA metal and transition metalT substitution for Fe on crystal structure, magnetostriction and spontaneous magnetostriction, anisotropy and spin reorientation of a series of polycrystalline Tb_0.3 Dy_0.7 (Fe_0.9 T _0.1)_1.95 (T=Mn, Fe, Co, B, Al, Ga) alloys at room temperature were investigated systematically. It was found that the primary phase of the Tb_0.3 Dy_0.7 (Fe_0.9 T _0.1)_1.95 alloys is the MgCu₂-type cubic Laves phase structure for different substitution. The magnetostrictionλ _s decrases greatly for the substitution of IIIA metal, B, Al and Ga, but is saturated more easily for Al and Ga substitution, showing that the Al and Ga substitution is beneficial to a decrease in the magnetocrystalline anisotropy of Tb_0.3 Dy_0.7 (Fe_0.9 T _0.1)_1.95 alloys. However, the substitution of transition metal Mn and Co decreases slightly the magnetostrictionλ _s . It was also found that the effect of different substitutions on the spontaneous magnetostrictionλ ₁₁₁ is distinct. The analysis of the Mössbauer spectra indicates that the easy magnetization direction in the {110} plane deviates slightly from the main axis of symmetry for Al and Ga substitution, namely spin reorientation, but it does not change evidently for B, Mn and Co substitution.     

Magnetic properties of cobaltites doped with chromium,gallium, and iron ions

The magnetic and magnetotransport properties of cobaltites La_0.5Sr_0.5Co_1–xMe_xO₃ (Me = Cr, Ga, Fe) have been studied. The initial compound (x = 0) is a ferromagnet with T_C = 247 K and a saturation magnetization close to 2μ_B per formula unit. It has ben shown that chromium substitution (x = 0.2) decreases the spontaneous magnetization to 0.3μ_B, while the iron substitution (x = 0.2) does not change the magnetization. The obtained data have been interpreted in a model of positive superexchange interactions between cobalt and iron and negative superexchange interactions between cobalt and chromium.     

The electronic and optical properties of InGaN-based solar cells alloys: First-principles investigations via mBJLDA approach

First-principles calculations of the electronic and optical properties of the bulkIn _x Ga_1 ? x N alloys aresimulated within the framework of full-potential linearized augmented plane-wave (FP-LAPW)method. To this end, a sufficiently adequate approach, namely modified Becke-Johnson(mBJLDA) exchange correlation potential is employed for calculating the energy band gapand optical absorption of InGaN-based solar cells systems. The quantities such as theenergy gap, density of states, imaginary part of dielectric function, refractive index andabsorption coefficient are determined for the bulkIn _x Ga_1?x N alloys, in thecomposition range from x = 0 to x = 1. It is found thatthe indium composition robustly controls the variation of band gap. From the examinationof the density of states and optical absorption ofIn _x Ga_1?x N ternary alloys,the energy gaps are significantly reduced for largest In concentration. The computed bandgaps vary nonlinearly with the composition x. It is also surmised thatthe significant variation in the band gaps elaborated via the experimental crystallinegrowth process, is originated by altering the In composition. Interestingly, it isworthwhile to perform InGaN solar cells alloys with improved efficiencies, because oftheir entire energy gap variation from 0.7 to 3.3 eV.     

Effect of the Composition and the Crystal Structure on the Electrophysical Properties of the Ni<Subscript>1–<Emphasis Type="Italic">x</Emphasis></Subscript>W<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> System at Low Temperatures

The problem of establishing the correlation between, on the one hand, the chemical and phase compositions of Ni_1–xW_x alloys (0 ≤ x ≤ 0.5) and, on the other hand, the character of the temperature dependences of the electrical resistivity, is considered. Based on the experimental ρ(T) curves, the concentration dependences of are reconstructed in the wide temperature range (50 K ≤ T ≤ 273 K). The ρ(x) curves have features related to a change in the crystal structures of the alloys (concentration fcc–bcc phase transition), their magnetic structures and percolation processes occurring in the two-phase fcc + bcc medium.     

Optical properties of Ni<Subscript>3</Subscript>Al<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Mn<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> alloys with various degrees of localization of magnetic moments

The optical properties of Ni₃Al_{1 ? x} Mn _x (x = 0–1) ferromagnetic alloys have been studied in the spectral range 0.22–15 μm by the ellipsometry method. The substitution of manganese for aluminum is shown to substantially change the optical conductivity spectra. The concentration dependences of the plasma and relaxation frequencies of electrons have been found. The behavior of the optical characteristics of the alloys under study with varying x has been analyzed with allowance for the structure of the energy spectrum of electrons and the influence of a transition from the band magnetism to the spin-localized magnetism.     

Optical and X-ray diffraction studies of multilayer structures based on InGaN/GaN solid solutions

Multilayer structures based on the In _x Ga_{1 ? x} N/GaN compounds grown by gas-phase epitaxy from organometallic compounds are studied using photoluminescence spectroscopy and high-resolution X-ray diffraction. A method for analyzing the experimental rocking curves of multilayer structures in terms of the Parratt-Speriosu model is developed. This method permits one to determine the thickness, period, and average composition of In _x Ga_{1 ? x} N/GaN layers, as well as the deformation of the active region in the samples under study. The local indium content is determined using the theoretical model which describes the radiation energy as a function of the thicknesses of the InGaN layers taking into account the energy of quantum confinement, the energies of the spontaneous polarization and piezoelectric polarization, and the parameters determined from high-resolution X-ray diffraction data.     

Microwave and electrical properties of Co-Ti substituted M-type Ba hexagonal ferrite

The microwave characteristics of Co²⁺ and Ti⁴⁺ ions substituted, BaCo _x Ti _x Fe_(12?2x)O₁₉ (x = 0.1, 0.3, 0.5, 0.7, 0.9) ferrite have been studied as a function of thickness, frequency and substitution. The results depict reflection loss of ? 31.94 dB at 10.47 GHz in x = 0.9. The highest static electrical current is observed at lower substitution. The model accompanying microwave absorption is used to evaluate microwave absorption characteristics. The electromagnetic and static electrical characteristics are improved with the substitution of Co²⁺ and Ti⁴⁺ ions. The compositions for possible electromagnetic applications are also explored.     

Specific features of dielectric anomalies in Pb<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Ge<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Te(Ga) near a ferroelectric phase transition

The dielectric properties of Pb_{1 ? x} Ge _x Te(Ga) (x = 0.02, 0.03, 0.05) were studied in the temperature range 77–150 K at frequencies of 10⁴–10⁶ Hz. It is revealed that the ferroelectric phase transition temperature T _c and the permittivity ? of Pb_{1 ? x} Ge _x Te(Ga) increase substantially with the Ge content. The temperature dependence of the permittivity of Pb_{1 ? x} Ge _x Te shows two peaks; the main peak is at the ferroelectric phase transition temperature T _c , and an additional peak is at T ₁ > T _c .     

Microwave characterization of Pb<Subscript>1−x</Subscript>Ca<Subscript>x</Subscript>Fe<Subscript>0.5</Subscript>Nb<Subscript>0.5</Subscript>O<Subscript>3</Subscript> multiferroics at X-band

The microwave characteristics of Pb_1?x Ca _x Fe_0.5Nb_0.5O₃ multiferroics (x = 0.0, 0.4, 0.45, 0.5, 0.55, 0.6), have been investigated as a function of frequency and substitution. The results depict ?13.99 dB reflection loss at 11.65 GHz in composition x = 0.6. Microwave absorption is enhanced with substitution of Ca²⁺ ions and undoped composition 0.0 behaves as electromagnetic shield. The model governing microwave absorption is discussed and different compositions for electromagnetic applications have been suggested.     

Theoretical calculations on structural and electronic properties of BGaAsBi alloys

The structural and electronic properties of cubic B _x Ga_1?x As_1?y Bi _y alloys with bismuth (Bi) concentration of 0.0625, 0.125, 0.1875 and 0.25 are studied with various boron (B) compositions by means of density functional theory (DFT) within the Wu-Cohen (WC) exchange correlation potential based on generalized gradient approximation (GGA). For all studied alloy structures, we have implemented geometric optimization before the volume optimization calculations. The obtained equilibrium lattice constants and band gap of studied quaternary alloys are investigated for the first time in literature. While the lattice constant behavior changes linearly with boron concentration, increasing small amount of bismuth concentration alter the lattice constant nonlinearly. The present calculation shows that the band gap decreases with increasing bismuth concentration and direct band gap semiconductor alloy became an indirect band gap with increasing boron concentration. From the band offset calculation we have shown that increasing B and Bi concentration in host GaAs reduced the valance band offset in a heterostructure formed by GaAs and studied alloys.     

Energy spectrum of charge carriers in Bi<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Sb<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> alloys

Analysis of the quantum oscillations of magnetoresistance (the Shubnikov-de Haas effect) in Bi_{1 ? x} Sb _x alloys with an antimony content in the range 0.255 < x < 0.260 has revealed a Lifshitz electronic-topological transition, which quite possibly can be explained in terms of the existence of a saddle point in the energy spectrum of these compositions. Such a peculiarity comes into existence when the direct band gap at the L point of the Brillouin zone in the semiconductor region of the compounds with x > 0.04 becomes negative. This compel one to revise essentially all earlier calculations based on the previously obtained values of the band parameters. In order to check the agreement between the new values of the band parameters and the data on the density of states obtained from measurements of the thermopower in the classical limit of strong magnetic fields, theoretical calculations of the charge carrier concentration n and the density of states at the Fermi level ρ(E _F) have been performed for the case of negative values of the direct band gap at the L point E _gL. The calculations of the parameters n and ρ(E _F) have demonstrated that the change in E _gL and the corresponding correction of the band parameters ensure good agreement with the experimental data. According to these calculations, one electronic-topological transition occurs at an antimony content x ～ 0.165, when a saddle point appears in the energy spectrum. The second transition is associated with the transformation of the six ellipsoids of the Fermi surface into three dumbbell-like figures at antimony concentrations in the range 0.255 < x < 0.260.     

Magnetic State of Quasiordered Fe–Al Alloys Doped with Ga and B: Magnetic Phase Separation and Spin Order

Results of structural, magnetic, and Mössbauer studies of quasi ordered alloys Fe₆₅Al_{35 ? x}M _x (M _x = Ga, B; x = 0, 5 at %) are presented. The magnetic state of examined structurally–single-phase alloys at low temperatures is interpreted from the viewpoint of magnetic phase separation. An explanation is proposed for the observed behavior of magnetic characteristics of Fe₆₅Al₃₅ and Fe₆₅Al₃₀Ga₅ in the framework of the model of two magnetic phases, a ferromagnetic-type one and a spin density wave. The boron-doped alloy Fe₆₅Al₃₀B₅ is shown to demonstrate behavior that is typical of materials with the ferromagnetic type of ordering.     

A study of the effect of gradual substitution NH<Subscript>4</Subscript> → Cs on phase transitions in NH<Subscript>4</Subscript>LiSO<Subscript>4</Subscript> crystals

Solid solutions in the Cs_x(NH₄)_1?xLiSO₄ (0≤x≤0.35) system are grown and investigated. The birefringence (n_a?n_b) and the heat capacity are measured in the temperature range 100–530 K. The (x-T) phase diagram is constructed. It is demonstrated that the substitution of cesium for ammonium in the NH₄LiSO₄ crystal affects the transition temperatures in such a way that the region of the ferroelectric phase increases and the ferroelastic phase disappears at x>0.22. The character of the high-temperature transition remains unchanged (2β=0.24±0.01 for all compositions), but the birefringence anomaly and enthalpy decrease. As the concentration x increases, the low-temperature transition becomes more similar to a first-order transition: the birefringence jump δn and the temperature hysteresis ΔT increase.     

Structural and magnetic phase transformations in the BiFeO<Subscript>3</Subscript>-CaFe<Subscript>0.5</Subscript>Nb<Subscript>0.5</Subscript>O<Subscript>3</Subscript> system

The crystal structure and magnetic properties of the Bi_{1 ? x} Ca _x Fe_{1 ? x/2}Nb _x/2O₃ system were studied. It is shown that, at x ≤ 0.15, the unit-cell symmetry of solid solutions is rhombohedral (space group R3c). Solid solutions with x ≥ 0.3 have an orthorhombic unit cell (space group Pbnm). The rhombohedral compositions are antiferromagnetic, while the orthorhombic compositions exhibit a small spontaneous magnetization due to Dzyaloshinski?-Moriya interaction. In CaFe_0.5Nb_0.5O₃, the Fe³⁺ and Nb⁵⁺ ions are partially ordered and the unit cell is monoclinic (space group P2₁/n). In the concentration range 0.15 < x < 0.30, a two-phase state (R3c + Pbnm) is revealed.     

Optical activity of γ<Subscript>1</Subscript>-(Ga<Subscript>x</Subscript>In<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>)<Subscript>2</Subscript>Se<Subscript>3</Subscript> crystals

The optical activity of uniaxial γ₁-(Ga_xIn_1?x )₂Se₃ crystals (x=0.1, 0.2, 0.3, 0.4) is studied at T=295 and 77 K in the spectral range 0.5–0.8 πm. It is found that the cationic substitution In → Ga leads to a nonlinear increase in the specific rotation of the plane of polarization ρ and the component g ₃₃ of the gyration tensor. It is shown that the gyrotropy of the crystals studied is determined by high-energy transitions whose energy exceeds the energy of the edge transitions and that the gyrotropy observed has a molecular origin.     

Surface morphology and Raman spectroscopy of thin layers of antimony and bismuth chalcogenides

The phonon spectra in thin layers of bismuth telluride and solid solutions of Bi_2–xSb_xTe_3–ySe_y of different composition, belonging to three-dimensional topological insulators, have been investigated by micro-Raman spectroscopy, and the morphology of an interlayer van der Waals (0001) surface in them has been studied by semicontact atomic force microscopy at room temperature. The analysis of the Raman spectra and the intensity ratio of active and inactive longitudinal optical modes depending on the composition, morphology of the interlayer surface, and thickness of the layers enabled the estimation of the effect of topological surface states of Dirac fermions, associated with the strengthening of the electron–phonon interaction as a result of resonance Raman scattering, and the identification of the compositions, in which the contribution of topological surface states becomes dominant.     

Structural and magnetic phase transformations in the diluted laves phases Pr(Fe<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Al<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>)<Subscript>2</Subscript>

The Pr(Fe_{1 ? x} Al _x )₂ alloys with concentrations x = 0–1 have been synthesized under a high pressure. The phase composition and lattice parameters (a and c) have been determined as a function of x. The magnetic and Mössbauer measurements have been performed at T = 90–400 K. It has been established that the Curie temperatures of alloys linearly depend on their composition.     

A statistical model of a metallic inclusion in semiconducting media

The atomic dynamics of the binary Al_100–xCu_x system is simulated at a temperature T = 973 K, a pressure p = 1.0 bar, and various copper concentrations x. These conditions (temperature, pressure) make it possible to cover the equilibrium liquid Al_100–xCu_x phase at copper concentrations 0 ≤ x ≤ 40% and the supercooled melt in the concentration range 40% ≤ x ≤ 100%. The calculated spectral densities of the time correlation functions of the longitudinal \({\tilde C_L}\)(k, ω) and transverse \({\tilde C_T}\)(k, ω) currents in the Al_100–xCu_x melt at a temperature T = 973 K reveal propagating collective excitations of longitudinal and transverse polarizations in a wide wavenumber range. It is shown that the maximum sound velocity in the v_L(x) concentration dependence takes place for the equilibrium melt at an atomic copper concentration x = 10 ± 5%, whereas the supercooled Al_100–xCu_x melt saturated with copper atoms (x ≥ 40%) is characterized by the minimum sound velocity. In the case of the supercooled melt, the concentration dependence of the kinematic viscosity ν(x) is found to be interpolated by a linear dependence, and a deviation from the linear dependence is observed in the case of equilibrium melt at x < 40%. An insignificant shoulder in the ν(x) dependence is observed at low copper concentrations (x < 20%), and it is supported by the experimental data. This shoulder is caused by the specific features in the concentration dependence of the density ρ(x).