Calculation of energy characteristics for Si<Subscript>1–<Emphasis Type="Italic">x</Emphasis></Subscript>Ge<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>–Si structures with single quantum wells

Energy characteristics of Si_1–x Ge _x –Si quantum-size structures with single quantum wells were calculated numerically based on a four-band k·p method. Analytical expressions for the Luttinger parameters are obtained as functions of the component composition of Si_1–x Ge _x compounds. Analytical expressions for the energy ħω of optical band-to-band transitions are obtained in an effective mass approximation and agree well with numerical calculations by the k·p method. This allows one to determine accurately a range of changes while varying the component compositions and thickness of the active and barrier layers.     

Optical and magneto-optical properties of Co–SiO<Subscript>x</Subscript> thin films

The optical and magneto-optical properties of hybrid Co–SiO_x systems are studied as a function of Co concentration. The structures were prepared by alternate depositions of SiO_x thin films and layers of 10-nm-diameter Co nanoparticles produced by an Ion Cluster Source. Both optical and magneto-optical constants of the system gradually increase with the amount of Co, though maintaining low optical absorption values in the visible range. The experimental results are well reproduced assuming that the nanoparticles have a cobalt core (7–8 nm in diameter) surrounded by a cobalt oxide shell (1–2 nm thick). The magneto-optical activity versus optical absorption figure of merit of this system is compared with other magneto-optical dielectric systems.     

Reduction in the rate of phonon scattering by a spatially correlated system of iron ions and low-temperature “anomaly” of the thermoelectric phenomena in HgSe:Fe crystals

A new effect of the reduction in the rate of phonon scattering by the spatially correlated system of iron ions in HgSe:Fe crystals is detected experimentally and calculated theoretically. The thermoelectric power is measured using HgSe:Fe samples with different iron content in the temperature range 7.5–60 K. It is found that the dependence of the thermoelectric power on iron content exhibits remarkable features at T<10 K: the quantity |α(N _Fe )| increases as the iron concentration increases to N _Fe =5×10¹⁸ cm⁻³, reaches a maximum at N _Fe ≈(1–2)×10¹⁹ cm⁻³, but then monotonically decreases with further increases in N _Fe . It is shown that the obseved increase in the thermoelectric power is due to a reduction in the rate of phonon scattering by the spatially correlated system of Fe³⁺ ions. This new effect is analyzed theoretically, and the theoretical results are compared with the experimental data. Zh. éksp. Teor. Fiz. 114, 191–207 (July 1998)     

The influence of a metalloid on ordered structure in titanium carbide

X-ray and neutron diffraction were used to investigate the effect of oxygen and nitrogen atoms on the formation of the intermediate δ′-cubic (sp. gr. Fd3m) and δ″-tetragonal (sp. gr. P3₁21) ordered structures in titanium carbide. In TiC_0.545O_0.08, TiC_0.545N_0.09 samples that were investigated, the metal atoms were shifted from ideal positions in the direction from vacancies to metalloid atoms. In the intermediate cubic phase (δ′), the free-parameter values of titanium atoms in the two samples are the same, but are different from their analogous value in titanium carbide. Fiz. Tverd. Tela (St. Petersburg) 39, 2207–2209 (December 1997)     

Synthesis and electrical properties of Ln<Subscript>2</Subscript>CuO<Subscript>4+</Subscript><Subscript><Emphasis Type="Italic">δ</Emphasis></Subscript> (Ln: Nd or La) mixed conductor sputter deposited coatings

Nd₂CuO₄ and La₂CuO₄ are potential candidates as cathode material for intermediate temperature-solid oxide fuel cells. Nd–Cu and La–Cu oxides were co-sputtered on rotating substrates from metallic La, Nd and Cu targets in the presence of a reactive argon–oxygen gas mixture. Structural and chemical features of these films have been determined by X-ray diffraction and energy-dispersive spectroscopy. Their electrical resistivity was measured using the four-point probe method. As-deposited Nd–Cu based coatings are amorphous and, after annealing, crystallise in K₂NiF_{4+ δ} -type structure for Nd/Cu atomic ratio of 2, with more or less Nd₂O₃ or CuO, depending on whether Nd or Cu is in excess, respectively. As-deposited La–Cu based coatings are also amorphous and crystallise in La₂CuO₄ for La/Cu >2 or in LaCuO_3±δ perovskite-type structure when Cu is in excess. The electrical measurements show a clear relation between resistivity and structure of the coatings. After annealing, crystallised neodymium-based coatings show higher resistivity than lanthanum-based ones. Finally, LaCuO_3±δ exhibit higher resistivity than La₂CuO₄. Paper presented at the 11th EuroConference on the Science and Technology of Ionics, Batz-sur-Mer, Sept. 9–15, 2007.     

Temperature and orientation dependences of the grain-boundary diffusion coefficient of antimony in copper bicrystals

An investigation is made of the diffusion of antimony through the bulk and along grain boundaries in copper bicrystals containing a symmetric 〈100〉 misorientation boundary with misorientation angles from 20 to 37.2°. The bicrystals are grown by the method of horizontal zone recrystallization. The temperature range for these studies is 480–580 °C, where the solubility of Sb in Cu is about 6 atomic % and practically temperature-independent. The concentration profiles are obtained by x-ray spectral microanalysis, and the grain-boundary diffusion parameters are computed by the method of Whipple and Suzuoka. The orientation dependence of the triple product P=sδD _b (where s is the segregation coefficient, δ the width of the grain boundary, and D _b the grain-boundary diffusion coefficient) is nonmonotonic, with a maximum for the special ∑5 misorientation boundary (36.9°). The effective activation energy for grain-boundary diffusion ranges from ∼70 kJ/mol for ∑5 to140 kJ/mol for general boundaries. Fiz. Tverd. Tela (St. Petersburg) 39, 1153–1157 (July 1997)     

New intensity magneto-optical effect in materials exhibiting giant magnetoresistance

The change in the reflectivity of a metallic magnetic multilayer that exhibits giant magnetoresistance for a monochromatic electromagnetic plane wave with polarization along the magnetization (s polarization) in response to a change from the antiferromagnetic magnetic configuration of the multilayer to the ferromagnetic configuration is investigated. This magneto-optical effect is treated in the effective-medium approximation, in which the dielectric constant needed is found analytically with consideration of the interface roughness scattering of electrons. It is shown in the example of an Fe/Cu multilayer that the effect amounts to ∼0.7%. The representation found for the complex conductivity is convenient in a special case for investigating the magnetoresistive effect. Zh. éksp. Teor. Fiz. 114, 1101–1114 (September 1998)     

Effect of iron doping and oxygen stoichiometry on infrared absorption in Y1Ba2Cu3O7−δ

We report infrared absorption of Y₁Ba₂Cu₃O_7−δ as a function of oxygen stoichiometry (0<δ<1) and copper substitution by iron in the spectral range of 450–700 cm⁻¹. The strong bands associated with Cu-O vibrations undergo significant changes in their frequencies and intensities asδ is varied across the orthorhombic to tetragonal phase. These changes coupled with those arising as a result of doping with iron has helped in identifying the nature of the vibrational modes.     

Photoelectron spectra of thin films of the high-T c superconductor YBa2Cu3O7−δ

The results of calculations of the energy band structure of thin films are used to obtain theoretical photoelectron spectra of the valence band of the compound YBa₂Cu₃O_7−δ for δ=0 and δ=1 at various photon energies; the spectra are averaged over the photoelectron emission angles. The principal structural features of the spectra are determined by the d states of copper atoms, while the variation of the shape of the spectra with increasing photon energy is attributed to a relative decrease in the contribution from the p states of oxygen atoms. The density of d states around the Fermi level for YBa₂Cu₃O₆ films is observed to increase relative to YBa₂Cu₃O₇ films. Fiz. Tverd. Tela (St. Petersburg) 39, 437–440 (March 1997)     

Excitons in ZnP2 crystals in the electric field of a Schottky barrier

A study is made of the effect of electric fields on the exciton states of β-ZnP₂ crystals (T=77 K) in structures with Schottky barriers formed by depositing semitransparent electrically-conducting InSnO₂ films on the crystal surface. The observed changes in the exciton optical reflection spectra when an electrical potential is applied to a barrier are explained by the shift and broadening of the exciton level caused by the Stark effect. The experimental data are compared with calculations based on a theory of exciton optical reflection from planar spatially nonuniform structures. Fiz. Tverd. Tela (St. Petersburg) 40, 884–886 (May 1998)     

Epitaxial combination of NdBa2Cu3O7−δ /SrTiO3: growth characteristics, structure, and parameters

We have studied the growth characteristics, structure, and parameters of the epitaxial heterostructures (001)NdBa₂Cu₃O_7−δ /(100)SrTiO₃/(001)NdBa₂Cu₃O_7−δ grown by laser ablation on a (100)LaAlO₃ substrate with a thin (∼2 nm) YBa₂Cu₃O_7−δ intermediate layer. The use of an YBa₂Cu₃O_7−δ intermediate layer promotes layered growth of the (200 nm) NdBa₂Cu₃O_7−δ layer, whose free-surface roughness is 4–5 nm. The resistance of the NdBa₂Cu₃O_7−δ layers began to fall off abruptly at T=92 K, and at T≈87 K it vanished completely. The critical current density in the NdBa₂Cu₃O_7−δ layers at T=76 K exceeded 10⁶ cm² A/cm². The dielectric constant of the (400 nm) SrTiO₃ layer sandwiched between the NdBa₂Cu₃O_7−δ epitaxial layers grew by roughly threefold as the temperature was lowered in the interval 300–4.2 K. When a bias voltage of ±2.5V was applied to the NdBa₂Cu₃O_7−δ electrodes, the relative dielectric constant of the (400 nm) SrTiO₃ intermediate layer fell from 1150 to 400 (T=32 K, f=100 kHz). The conductivity of the SrTiO₃ intermediate layer in the direction perpendicular to the substrate plane increased with temperature and the electric field strength. Fiz. Tverd. Tela (St. Petersburg) 41, 395–403 (March 1999)     

The activation energy for γ-Fe precipitates inCuFe

The precipitation of the fcc γ-phase of iron has been studied by a systematic series of isothermal and isochronal (0–48 h) heat treatments (300–800°C) on a supersaturated solution ofCuFe containing 3 at% Fe. The optimal conditions (450–600°C) for precipitation of the maximum fraction (90%) of iron attainable within 48 h in the form of γ-Fe have been delineated from analysis of the room temperature spectra. The time dependence for formation of γ-Fe precipitates is well described by the equation for long term annealing. An activation energyE _a ≈0.6 eV for the formation of γ-Fe in Cu is obtained. It indicates short range rather than long range diffusion in theCuFe sample studied.     

Optical and magneto-optical properties of nanostructured yttrium iron garnet

Bulk dense samples of nanostructured yttrium iron garnet Y₃Fe₅O₁₂ with crystallite sizes of 20–40 nm are prepared by high-pressure torsion from a garnet powder with micron grains. The absorption and Faraday rotation spectra in the IR range and the transverse Kerr effect spectra in the visible spectral range for these samples are measured. The absorption and magneto-optical effect spectra are in agreement with the corresponding spectra of single crystals. The appearance of additional absorption bands at 2 and 3 μm is associated with the violation of the stoichiometry of the nanogarnet and the possible contamination of the initial material. The specific Faraday rotation in the transparency window is approximately 1.5 times smaller than the corresponding quantity for single crystals. The extrema in the Kerr effect spectra coincide with those for single crystals, are smaller in magnitude, and are smeared. On the whole, the prepared bulk samples are transparent in the IR spectral range and exhibit optical and magneto-optical characteristics comparable to the corresponding parameters for single crystals. The high density of point defects of the nanogarnet is primarily due to the violation of the stoichiometry and the valence state of iron ions.     

Highly nonideal classical thermal plasmas: Experimental study of ordered macroparticle structures

The formation of spatially ordered CeO₂ particle structures in a thermal plasma at atmospheric pressure and temperatures of 1700–2200 K is studied. The spatial structure of the particles in the plasma is analyzed using laser time-of-flight counting of individual particles. Probe and optical diagnostics are used to determine the parameters of the thermal plasma. The CeO₂ particles were positively charged (about 10³ electronic charges). The resulting Coulomb interaction parameter for the particles is γ _p>120, which corresponds to a highly nonideal plasma. Zh. éksp. Teor. Fiz. 111, 467–477 (February 1997)     

Bloch enhancement of electric field gradient in Fe and Cu host alloys

The Bloch enhancement factor α(k _f ) of the electric field gradient has been evaluated for the half-filledd-core Fe host metal and completely filledd-core Cu host metal in single orthogonalized plane wave (OPW) approximation. For this purpose the radially-dependent antishielding factors,γ(r) have been calculated in non-orthogonal Hartree-Fock perturbation theory (NHFPT). The results show that the contributions of antishielding to α(k _f ) from the plane wave-plane wave part and the core part of the OPW state are individually large but opposite in sign and thereby lead to partial cancellation. The net effect of antishielding on α(k _f ) is found to be − 5.6% in Fe and 14% in Cu.     

Absorption spectrum and excitons in thin films of the solid electrolyte RbCu4Cl3I2

We have investigated the absorption spectrum of thin films of the superionic conductor RbCu₄Cl₃I₂ synthesized on NaCl crystalline substrates. It is shown that the electron and exciton excitations in the energy interval 3–6 eV are associated with optical transitions in the CuHal sublattice, and the edge of the fundamental band is controlled by optical transitions in the Cu(II)Hal sublattice. It is found that the large band gap of this compound (E _g =3.86 eV) in comparison with those of CuCl and CuI is a result of the small number of Cu ions in the second coordination sphere. The temperature dependence of the spectral position and half-width of the low-temperature exciton band reveals features associated with the phase transitions γ→β (T _c1=170 K) and β→α (T _c2=220 K) and with disordering of the cation sublattice attendant to the transition to the superionic state. Fiz. Tverd. Tela (St. Petersburg) 40, 1022–1026 (June 1998)     

Determination of optical properties and thickness of nanolayers from the angular dependences of reflectance

The possibility of multiparametric determination of properties of structures from the data on the dependence of reflectances R _p and R _s for polarized radiation and ratio R _p /R _s on the angle of incidence θ and from the angular dependence 1/R _p (ΔR/Δθ) is investigated. The results of natural and computer experiments revealed a high sensitivity of the angular dependence R _p (θ) of the reflectance to the values of optical constants and thickness of layered structures. Quantitative results of multiparametric measurements are verified by the independent method of spectral ellipsometry. The possibility of multiparametric determination of the properties and thickness of nanometer dielectric, metallic, and semiconducting layers on various substrates and the properties of substrates in such structures is established.     

Nonlinear surface magneto-optics of ferromagnetic Ni/Cu(001) from first principles

We present first-principles calculations of the nonlinear optical (NLO) response of a Ni/Cu(001) bilayer. The calculations are based on the full potential linearized augmented plane wave (FLAPW) method with the additional implementation of spin–orbit coupling (SOC). On the basis of this set of eigenstates the magneto-optical transition-matrix elements are evaluated. Using the surface-sheet model the optical reflection properties are determined for the cases of the magnetization vector perpendicular to the surface (polar magneto-optical configuration (MOC)) and for the in-plane magnetization (longitudinal MOC). The nonlinear optical susceptibility tensor elements χ⁽²⁾ _ijk for different magnetization directions as well as the spectral dependence of χ⁽²⁾ _ijk, the resulting intensities, and Kerr angles are presented for the Ni/Cu(001) bilayer. The results show that the magnetic tensor elements of the χ⁽²⁾ _ijk tensor are smaller than the nonmagnetic ones by only one order of magnitude, confirming the important role of magnetic properties in the NLO response. Received: 16 October 2001 / Revised version: 8 March 2002 / Published online: 29 May 2002     

Laser-plasma deposited nanosized layers of ferromagnetic semiconductors and silicon- and germanium-based Heusler alloys

The electric, magnetic resonance, and magneto-optical properties of thin laser-plasma deposited 50–100-nm layers of diluted magnetic semiconductors Ge:(Mn, Al)/GaAs, Ge:(Mn, Al)/Si, and Heusler alloys Co₂MnSi/Si, Co₂MnSi/GaAs, and Fe₂CrSi/GaAs with T _c > 293 K were studied. Anomalous ferromagnetic resonance in Ge:(Mn, Al) layers, ferromagnetism in CoSi/Si characterized by strong hysteresis in the magneto-optic Kerr effect, and the anomalous Hall effect at 293 K were observed.     

Diffusion and surface energy barrier for labile oxygen in YBa2Cu3O7−δ

A study is made of the isotope exchange kinetics of tracer oxygen atoms between the gas phase and the CuO_1−δ plane in the YBa₂Cu₃O_7−δ crystal under isochronous and isothermal annealing. The parameters of the surface energy barrier for oxygen atoms are found. Fiz. Tverd. Tela (St. Petersburg) 39, 42–48 (January 1997)