Ab initio calculations of the stability and structural defects of the <Emphasis Type="Italic">B</Emphasis>2 Cu<Subscript>x</Subscript>Fe<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Al phases

The stability of the B2 Cu_xFe_1?x Al phases and the energy of defect formation are studied using ab initio band calculations. For B2 Cu_xFe_1?x Al alloys, vacancies in the 3d-metal sublattice and configurations with the minimum number of Fe-Cu bonds in the first coordination shell (including Fe antisite defects, which have a high local magnetic moment) are most stable. Complicated defect complexes with vacancies and displaced atoms, which are close to the atomic configurations of vacancy-ordered AlCu phases, can exist near the composition Cu_0.875Fe_0.125Al.     

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.     

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.     

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.     

The two-phase crystal structure and magnetic properties of the LaCo<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Fe<Subscript>x</Subscript>O<Subscript>3−<Emphasis Type="Italic">d</Emphasis></Subscript> system

The preparation conditions and magnetic properties of the La(Co_1?xFe_x)O3?d system of solid solutions were studied. Irrespective of synthesis conditions, the samples with x ≤ 0.15 were rhombohedral (space group \(R\bar 3c\)), and those with x ≥ 0.7, orthorhombic (space group Pnma). In the intermediate region of 0.15 < x < 0.7, the samples could be mixtures of rhombohedral and orthorhombic phases. Structural heterogeneity considerably decreased as the temperature of the synthesis increased or after annealing in a reducing medium. The samples containing more than 40% iron exhibited weak spontaneous magnetization, as is characteristic of weak ferromagnets. The magnetic properties and structure depend on the content of oxygen. A decrease in the concentration of oxygen sharply increases magnetic anisotropy; the coercive force is then close to 10 kOe, which is more than that known for other oxide systems. The magnetic properties are explained in terms of the model according to which Co³⁺ ions are in the low-spin state.     

Neutron investigations of the magnetic properties of Fe<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Mn<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>S under pressure up to 4.2 GPa

Fe _x Mn_1?x S belongs to the group of strong electron correlations compounds MnO. We present here experimental results for the antiferromagnetic iron–manganese sulfide system, based on X-ray and neutron diffraction studies. The neutron diffraction investigations were carried out at ambient conditions and at hydrostatic pressures up to 4.2 GPa in the temperature range from 65 to 300 K. Our results indicate that the Néel temperature of α-MnS increases up to room temperature by applying chemical (x _Fe) or weak hydrostatic pressure P. In Fe_0.27Mn_0.73S, the Néel temperature increases from 205(2) K (P = 0 GPa) to 280(2) K (P = 4.2 GPa) and the magnetization at 100 K decreases by a factor of 2.5 when the hydrostatic pressure increases from 0 to 4.2 GPa.     

Optical properties and electronic structure of YNi<Subscript>5 − <Emphasis Type="Italic">x</Emphasis></Subscript>Cu<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> intermetallic compounds

The optical properties of hexagonal intermetallic compounds YNi_{5 − x} Cu _x (x = 0, 1, 2) have been investigated by ellipsometry in the spectral range of 0.22–15 μm. It is shown that the replacement of nickel atoms by copper atoms leads to local changes in the optical-conductivity spectra. A new absorption band is found at 3.5–4.5 eV; its intensity depends on the copper content. The plasma and relaxation frequencies of conduction electrons are determined. The electronic structure and interband optical conductivity of these compounds are calculated within the electron density functional theory using the pseudopotential method. The main parameters of the band structure and the total and partial densities of electronic states are determined. Qualitative agreement is obtained between the experimental and theoretical frequency dependences of the optical conductivity.     

Short-range order in Fe<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Si<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>(<Emphasis Type="Italic">x</Emphasis>=0.05−0.08) alloys with induced magnetic anisotropy

Previously, iron—silicon alloys were investigated using X-ray diffraction and Mössbauer spectroscopy. It was demonstrated that, at low silicon concentrations, the alloys undergo a local separation into regions of the α iron phase depleted in silicon and silicon-rich clusters with a B2 ordering. The structure of locally ordered regions of the B2 phase is characterized by a pair ordering of silicon atoms: the Si—Si pairs are formed by next-nearest neighbors, and the axes of pairs are oriented along the 〈100〉 directions, which are the easy-magnetization axes. The thermomagnetic treatment in a constant magnetic field applied along the 〈100〉 axis induces an axial magnetic anisotropy, results in the formation of an anisotropic distribution of the B2 phase, and leads to a slight decrease in the volume fraction of the coordination 6: 2 with two silicon atoms in the first coordination shell of the iron atom. Therefore, the formation of an anisotropic local order of pairs of silicon atoms occurs as a result of their reorientation.     

Influence of atomic ordering on the magnetic properties of FePd,FePt, and Fe<Subscript>50</Subscript>Pd<Subscript>50−<Emphasis Type="Italic">x</Emphasis></Subscript>Pt<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> alloy films

The phase composition, crystal structure, and magnetic properties of films of the ordered alloys FePd, FePt, and Fe₅₀Pd_{50 − x} Pt _x , where x = 1–10 at %, were analyzed. The spectral dependences of the magnetic rotation and optical absorption were taken. The effect of heat treatment on the crystal structure, magnetization, and coercive field strength of the ordered alloy films was studied. The influence of the degree of atomic ordering on the perpendicular magnetic anisotropy was investigated. It was shown that films of ordered FePd and FePt alloys of equiatomic composition and films of Fe₅₀Pd_{50 − x} Pt _x , where x = 1–10 at %, can serve as media for magnetic and thermomagnetic data recording and storage.     

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.     

Evolution of the structure and magneto-optical properties of Mn<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Fe<Subscript>3 − <Emphasis Type="Italic">x</Emphasis></Subscript>O<Subscript>4</Subscript> films prepared by solid-state reactions

This paper reports on the results of investigations into the structure and the magnetic and magnetooptical properties of thin films Mn _x Fe_{3 ? x} O₄ prepared by solid-state reactions: isothermal annealing, self-propagating high-temperature synthesis, and a combination of these two regimes. The regimes favorable for the formation of films close in composition and structure to the stoichiometric compounds MnFe₂O₄ or Fe₃O₄ are established. The features observed in the spectral response of the magneto-optical Faraday effect and of the magnetic circular dichroism of the MnFe₂O₄ films are considered in terms of the electronic transitions in magnetic ions, primarily Fe³⁺, which occupy octahedral positions in the spinel structure.     

Structure and Curie temperature of Y<Subscript>2</Subscript>Fe<Subscript>17−<Emphasis Type="Italic">x</Emphasis></Subscript>Cr<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>

The structures of Y₂Fe_17−x Cr _x are simulated by theab initio potentials. The site preference of Cr atom in Y₂Fe₁₇ is evaluated and the order is determined as 4f, 12j, which is close to the experimental result. Based on the site preference behavior, the calculated parameters and the atom sites of Y-Fe-Cr system are studied. The result corresponds well to observed data. Further, the DOS of the relaxed structures are calculated and the variation in Curie temperature is explained qualitatively by the spin-fluctuation theory.     

Thermoelectric properties and ferromagnetism of diluted magnetic semiconductors Sb<Subscript>2 − <Emphasis Type="Italic">x</Emphasis></Subscript>Cr<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Te<Subscript>3</Subscript>

Thermoelectric properties of single crystals of a new dilute magnetic semiconductor p-Sb_{2 ? x} Cr _x Te₃ are studied in the temperature interval 7–300 K. The temperature dependences of the thermal conductivity are measured. The Seebeck coefficient S is found to increase upon doping with Cr. At low temperatures, a ferromagnetic phase with Curie temperature T _C ≈ 5.8 K exists for a Cr concentration x = 0.0215, its easy magnetization axis being parallel to the crystallographic axis C ₃. At T = 4.2 K, a negative magnetoresistance and anomalous Hall effect are observed; in strong magnetic fields, the Shubnikov-de Haas effect is manifested.     

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.     

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.     

Fabrication and magnetic characterization of Co<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Pt<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript> nanowire arrays

Co _x Pt_1−x (x≥0.7) alloy nanowires are grown into self-synthesized anodic alumina templates by electrodeposition. Magnetic and magnetization properties of Co _x Pt_1−x alloy nanowires are measured as functions of wire length, temperature, and field orientation. X-ray diffraction shows that as-prepared CoPt nanowires are of fcc polycrystalline structure. A crossover of easy axis of magnetization is observed from parallel to perpendicular of the nanowire axis as a function of length. The coercivity (H _c) and remanent squareness (SQ) of Co _x Pt_1−x nanowire arrays are derived from hysteresis loops measured at various angles (θ) between the field and wire axis. H _c(θ) and SQ(θ) curves show bell-shaped or otherwise bell-shaped behavior corresponding to the easy axis of their magnetization.     

Transport properties and ferromagnetism of Co<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Mn<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>S sulfides

We have studied the resistivity and thermoelectromotive force (thermo emf) in a temperature range of T = 80–1000 K, the magnetic susceptibility and magnetization in a temperature range of T = 4.2–300 K at an external magnetic field of up to 70 kOe, and the structural characteristics of Co _x Mn_1?x S sulfides (0 ≤ x ≤ 0.4). Anomalies in the transport properties of these compounds have been found in the temperature intervals ΔT ₁ = 200–270 K and ΔT ₂ = 530–670 K and at T ₃ ～ T _N. The temperature dependences of the magnetic susceptibility, magnetization, and resistivity, as well as the current-voltage characteristics, exhibit hysteresis. In the domain of magnetic ordering at temperatures below the Néel temperature (T _N), the antiferromagnetic Co _x Mn_1?x S sulfides possess a spontaneous magnetic moment that is explained using a model of the orbital ordering of electrons in the t _2g bands. The influence of the cobalt-ion-induced charge ordering on the transport and magnetic properties of sulfides has been studied. The calculated values of the temperatures corresponding to the maxima of charge susceptibility, which are related to a competition between the on-site Coulomb interaction of holes in various subbands and their weak hybridization, agree well with the experimental data.     

X-ray,Mössbauer,and magnetic research of system Y(Fe<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Al<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>)<Subscript>2</Subscript> alloys

The structural transformations and magnetic phase transitions in the quasibinary system Y(Fe_{1 ? x} Al _x )₂ have been investigated by Mössbauer spectroscopy, X-ray diffractometry, and magnetic measurements of polycrystals.     

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)     

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.