Charge density of Ga<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Al<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Sb

Charge density calculations and electronic band structures for Ga _x Al_{1 − x} Sb with x = 1.0, 0.5 and 0.0 are presented in this work. The calculations are performed using the empirical pseudopotential method. The charge density is computed for a number of planes, i.e. z = 0.0, 0.125 and 0.25 A ₀ by generating the potential through a number of potential parameters available in the literature. The virtual crystal approximation was applied for the semiconducting alloy. The characteristics of the band structure and charge density are observed to be affected by the potential parameters. Calculated band gaps and the nature of gaps are in good agreement with the experimental data reported. The ionicity is also reasonably in good agreement with other scales proposed in the literature; however the formulation needs to be improved. The present work also demands indirect experimental band gap for the alloy.      

Strain accumulation in InAs/In<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Ga<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>As quantum dots

The effect of strain accumulation in the InAs/In _x Ga_1−x As quantum dots (QDs) system was studied in this work. It was found that strain in the In _x Ga_1−x As layer accumulation in the QD layer. This effect resulted in a dramatic reduction of growth mode transition thickness of the QD layer. For InAs/In_0.25Ga_0.75As QDs, critical thickness is measured to be as low as 1.08 ML. The experimental results in this work highlight the importance of strain accumulation in the design and fabrication of QD-based devices with metamorphic buffer layer involved.     

Strain accumulation in InAs/In<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Ga<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>As quantum dots

The effect of strain accumulation in the InAs/In _x Ga_1−x As quantum dots (QDs) system was studied in this work. We found strain in the In _x Ga_1−x As layer with accumulation in the QD layer. This effect resulted in a dramatic reduction of growth-mode transition thickness of the QD layer. For InAs/In_0.25Ga_0.75As QDs, critical thickness is measured to be as low as 1.08 ML. The experimental results in this work highlight the importance of strain accumulation in the design and fabrication of QD-based devices with metamorphic buffer layer involved.     

Physical properties of Fe<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Dy<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Si crystals

The results of experimental investigation of magnetic and electric properties of Fe_1?x Dy _x Si crystals are reported. It is shown that the magnitude and position of the anomaly observed in the temperature dependences of magnetization are controlled to a considerable extent by the external magnetic field. It is found that the introduction of Dy ions leads to a weak magnetoresistive effect.     

Magnetostriction of Fe<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Mn<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>S (<Emphasis Type="Italic">x</Emphasis> = 0.27) crystals

The magnetostriction of Fe _x Mn_{1 − x} S (x = 0.27) single crystals in strong magnetic fields up to 120 kOe has been investigated. It has been found that the magnetostriction reaches colossal values (±3 × 10⁻⁴) atypical of compounds of 3d elements. It has been found that the magnetostriction changes sign when varying temperature and magnetic field; this behavior indicates an important role of the spin-phonon interactions in the formation of the magnetic order in solid solutions of iron-manganese sulfides.     

High-temperature study of SrFe<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Mo<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>O<Subscript>3−<Emphasis Type="Italic">z</Emphasis></Subscript> perovskites

The structure of high-temperature SrFe_{1 − x} Mo _x O_{3 − z} (0 ≤ x ≤ 0.5) phases was studied. Such studies are necessary to understand the mechanism of oxygen transport in membrane materials used for high-temperature oxygen separation.     

Dielectric relaxation in glassy Se<Subscript>75</Subscript>In<Subscript>25−<Emphasis Type="Italic">x</Emphasis></Subscript>Pb<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> alloys

In this paper we report the effect of Pb incorporation in the dielectric properties of a-Se₇₅In₂₅ glassy alloy. The temperature and frequency dependence of the dielectric constants and the dielectric losses in glassy Se₇₅In_{25 −x} Pb _x (x = 0, 5, 10 and 15) alloys in the frequency range (1 kHz-5 MHz) and temperature range (300–340 K) have been measured. A detailed analysis shows that the dielectric losses are dipolar in nature and can be understood in terms of hopping of charge carriers over a potential barrier as suggested by Elliott for the case of chalcogenide glasses. It has been found that both dielectric constant and the dielectric loss are highly dependent on frequency and temperature and also found to increase with increasing concentration of Pb in binary a-Se₇₅In₂₅ glassy system. The results have been interpreted in terms of increase in the density of defect states by the incorporation of Pb as a metallic additive in the aforesaid glassy system.     

Metallic-like conductivity of asymmetric <Emphasis Type="Italic">p</Emphasis>-In<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Ga<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>As quantum wells

The temperature dependence of the conductivity of the two-dimensional hole gas in an asymmetric GaAs/In _x Ga_{1 ? x} As/GaAs quantum well has been investigated. It is shown that fast spin relaxation leads to metallic-like behavior of the temperature dependence of the conductivity.     

Metal-insulator transition in Fe<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Mn<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>S crystals

Results of an experimental study of MnS, FeS, and Fe _x Mn_1?x S single crystals are presented. The phase composition, the lattice parameters, and the state of paramagnetic ions in Fe _x Mn_1?x S have been determined by x-ray diffraction analysis and Mössbauer spectroscopy. A sequence of transitions have been found in iron manganese sulfide with x = 0.29 at temperatures T ₁ ≈ 25–50 K, T ₂ ≈ 125 K, and T ₃ ≈ 190 K with a change in kinetic properties and the formation of a metallic state at low temperatures T ≈ 2 K. The possibility of a Mott-Hubbard transition in Fe _x Mn_1?x S sulfides with variation of the composition and the temperature is discussed.     

The band structures of BSb and B<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Ga<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Sb alloys

The band structures of BSb and B _x Ga_1−x Sb alloys are studied using first-principles calculations in the generalized gradient approximation. By SQS-8 supercells to model a random alloy, the direct transition energy-gap (Γ _15v−Γ _1c) bowing of 3.0 eV is obtained for B _x Ga_1−x Sb alloys in x = 0–50%, in x = 0–11% the energy-gap is the band-gap and increases by 7 meV/%B with boron composition increasing; by SQS-16 supercells the bowing parameter is about 1.9 eV in x = 0–12.5%. The formation enthalpies of mixing, ΔH, are calculated for B _x Ga_1−x As and B _x Ga_1−x Sb alloys. A comparison of enthalpies indicates that B _x Ga_1−x Sb films with boron composition of 7% may be possible. Supported by the National Natural Science Foundation of China (Grant No. 10774031) and the Guangdong Provincial Natural Science Foundation (Grant No. 07001790)     

Thermal expansion and permittivity of (Ba<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Bi<Subscript>2<Emphasis Type="Italic">x</Emphasis>/3</Subscript>)TiO<Subscript>3</Subscript> solid solutions

The strain, the thermal expansion coefficient, and the permittivity of ceramic samples of (Ba_{1 − x} Bi_2x/3)TiO₃ solid solutions with x = 0, 0.01, 0.03, and 0.05 have been studied in the temperature range 120–700 K. Based on an analysis of the results, the temperature-composition phase diagram has been refined, and the temperature dependence of the polarization has been calculated.     

Magnetocaloric properties of La<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>K<Emphasis Type="Italic">x</Emphasis>MnO<Subscript>3</Subscript> manganites

A technology for obtaining single-phase ceramic samples of La_{1 − x} K _x MnO₃ manganites, as well as the dependence of their structure parameters on the potassium content, is described. The magnetocaloric effect in the samples has been measured by two direct methods, the classical method and the magnetic field modulation method, and has been calculated from the specific heat data. The values of the magnetocaloric effect obtained by these methods are significantly different. The observed discrepancies have been explained. Correlation between the doping level and the value of the effect has been found. It has been shown that the magnetic-field dependence of variation of the magnetic entropy near T _C in weak fields corresponds to theoretical calculations and that the value of the magnetocaloric effect in high magnetic fields can be predicted using this dependence.     

Magnetocaloric effect in La(Fe<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Si<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>)<Subscript>13</Subscript> ferromagnets

The isothermal changes in the magnetic entropy and the lattice entropy and the adiabatic temperature change in La(Fe_0.88Si_0.12)₁₃ and La(Fe_0.86Si_0.14)₁₃ ferromagnets in a magnetic field are calculated. The calculations are performed with a generalized magnetostriction model of a ferromagnet; the calculation results are compared to experimental data. It is shown that the change in the lattice entropy decreases the magnetocaloric effect and makes it possible to explain the experimental data obtained for La(Fe _x Si_{1 − x} )₁₃ (x = 0.86, 0.88) ferromagnets. The temperature dependences of the bulk compression moduli of these ferromagnets are calculated, and these dependences indicate a strong lattice softening in the vicinity of the magnetic phase transition in them. The thermal expansion coefficient and some magnetic properties of the ferromagnet with x = 0.86 are measured to determine the numerical values of the parameters entering into calculation formulas.     

Electronic structure and ground state parameters of Ru<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript><Emphasis Type="Italic">Me</Emphasis><Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Al refractory alloys

The electronic structure and ground state parameters of B2 RuAl-based refractory alloys have been investigated in the framework of the density functional theory using the exact muffin-tin orbital method in combination with the coherent potential approximation. It has been demonstrated that the number of states at the Fermi level for the Ru_{1 − x} Me _x Al alloys as a function of the alloying metal content has a minimum, which indicates a change in the Fermi surface topology and the presence of specific features in the behavior of elastic constants. It has been concluded that the electronic structure of the alloys can be described in terms of the rigid band model. The nonlinear variations of the lattice parameters of the alloys has been explained.     

Optical properties and ferromagnetism of ternary Cd<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Mn<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Te nanocrystals

Cd_1−x Mn _x Te (x = 0, 0.1, 0.2) nanocrystals have been synthesized by mechanical alloying (MA) Cd, Mn, and Se elemental powders. XRD patterns and HRTEM images confirmed the formation of cubic Cd_1−x Mn _x Te nanocrystals. All the diffraction peaks from elemental Cd, Mn, and Te powders disappeared completely in those XRD patterns of as-milled Cd_1−x Mn _x Te nanocrystals for more than 20 h. When the MA process was carried out for 40 h, typical zinc blende structure diffraction mode was exhibited in the XRD pattern. Subsequently, capping the surface of as-milled Cd_1−x Mn _x Te nanocrystals with long chain trioctylphosphine/trioctylphosphine oxide/nitric acid (TOP/TOPO/NA) molecules has achieved colorful dispersion solution, which shows similar optical properties to those CdTe nanocrystals prepared by wet chemical process. The grain size is within the range of 2–8 nm for the capped Cd_1−x Mn _x Te nanocrystals being ball milled for 40 h. The PL excitation peak red shifts to longer wavelength side with increasing Mn concentration. Pure CdTe nanocrystals show ferromagnetism behavior at room temperature, the saturation magnetization value and magnetic hysteresis loop increase with the content of substituting Mn ions within the Cd_1−x Mn _x Te nanocrystals.     

Dual structures and transition regions in <Emphasis Type="Italic">x</Emphasis>PbTiO<Subscript>3</Subscript>-(1−<Emphasis Type="Italic">x</Emphasis>)Pb(Zn<Subscript>1/3</Subscript>Nb<Subscript>2/3</Subscript>)O<Subscript>3</Subscript> crystals

Model concepts of dual structures are developed as applied to crystals of xPbTiO₃-(1?x)Pb(Zn_1/3Nb_2/3)O₃ solid solutions in the range 0 ≤ x ≤ 0.08. The conditions of the formation of dual structures upon partial and complete relaxation of internal mechanical stresses are considered. A new model of transition regions is proposed for analyzing several variants of changing the unit cell parameters that satisfy the condition of complete stress relaxation inside the transition regions in crystals at concentrations x = 0.045 and 0.08. The influence of the intermediate phase P4mm and stability of its 90° domain structure on the formation of dual structures at x ≥ 0.045 is discussed.     

Magnetic properties of single crystals of the Cr<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Mn<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>S solid solutions (0 ≤ <Emphasis Type="Italic">x</Emphasis> < 0.3)

The Cr _x Mn_{1 − x} S single crystals have been synthesized based on manganese monosulfide as a result of cation substitution, and their magnetic properties have been studied. It has been established that the Cr _x Mn_{1 − x} S solid solutions with a face-centered cubic NaCl structure are formed in the concentration region 0 ≤ x < 0.3. The unit cell parameter of the solid solution decreases as the degree of substitution increases due to the variation in the ionic radius of cations. These substances are antiferromagnets. An increase in the degree of cation substitution in the Cr _x Mn_{1 − x} S solid solutions is accompanied by a decrease in the number of 3d electrons in the d shell of manganese monosulfide and causes a decrease in the magnetic transition temperature from 149 K (x = 0) to 96 K (x = 0.29), which differs from previously known results.     

Features of properties of microinhomogeneous PdMn<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Fe<Subscript>1− <Emphasis Type="Italic">x</Emphasis></Subscript> alloys

Complex investigation of the properties of PdMn _x Fe_{1? x} ternary alloys with interacting magnetic and structural order parameters has been performed. It is shown that the complex structural and magnetic state near the transition from the atomically ordered PdFe ferromagnet to the intermetallic antiferromagnetic PdMn compound leads to unusual features not only in magnetic and lattice characteristics but also in electronic properties.     

Polarization characteristics of graded thick Ba<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Sr<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>TiO<Subscript>3</Subscript> films

The barium strontium titanate ceramics Ba_{1 − x} Sr _x TiO₃ with a spatially variable composition has been prepared according to the thick film technology (tape casting). The strontium content over the film thickness is varied from 0 to 30 mol %. The structure and polarization characteristics of the samples prepared have been investigated. It has been found that the polarization characteristics of multilayer structures are determined by the ratio between the thicknesses of layers with different compositions and by their properties. No shift of the hysteresis loops in the graded thick Ba_{1 − x} Sr _x TiO₃ ( _x = 0–0.3) films has been revealed. The results obtained have been analyzed in the framework of modern theoretical approaches.     

Thermal and magnetic properties of La<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Pb<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>MnO<Subscript>3</Subscript>

The thermodynamic and magnetic properties of the La_{1 − x} Pb _x MnO₃ (0.24 ≤ x ≤ 0.40) solid solution system were investigated in the temperature range of 4.2–340 K. All objects were ferromagnetics with Curie temperature T _C ≈ 320–340 K, which slowly increased with x. The M(T) behavior in the magnetic ordering region indicated a nonuniform ground state, due possibly to the competition of ferromagnetic and antiferromagnetic interactions. The increase in the saturation magnetic moment with x can be described by a simple model of the binary bonds in La_{1 − x} Pb _x MnO₃.