Structure and element distribution in the UFe10-x Al x Si2 system

The neutron diffraction studies of powdered alloys withx = 2,2.5, and 3 gave detailed information on crystallographic data of the compounds. The structure refinement at 300 K for allx = 2,2.5, and 3 and at 450 K forx = 2 confirmed the ThMn₁₂ type of structure with uranium located in 2(a) positions, iron in 8(f), 8(i), and 8(j) positions, aluminum atoms in 8(i) and 8(j) positions, and Si atoms in 8(f) and 8(j) positions. Impurity phases, FeAl and UFe₂Si₂ have been detected in all investigated compounds.     

Electronic state and magnetism of the rare-earth carbide GdCx (x 0.33)

The electronic state and the magnetism of GdC_x (x = 0.33) were investigated by the discrete variational (DV)-Xα calculation method together with those of Gd metal. Magnetic moments on the gadolinium atoms located at the center of the Gd₁₇ and Gd₄C₂ clusters extracted from Gd metal and Gd_tC were calculated to be 8.38 and 9.70 μ_B, in qualitative agreement with the experimental values (7.96 and 8.28 μ_B respectively). The exchange splitting of the Gd 4f band in Gd₃C was found to increase from that of Gd metal and accounts for the higher Curie temperature of GdC₁ compounds observed in experiments. The calculated results show that the carbon atoms are charge acceptors in these compounds. The higher Curie temperature values (T_c = 350 K) observed in the GdC_x (x 0.33) compounds compared with Gd metal (T_c = 293 K) are discussed on the basis of the spin-fluctuation theory.     

Positions and mobility of hydrogen atoms in Hf2CoH x (D x ) with a structure of the Ti2Ni type: Study by the NMR and neutron diffraction methods

Spin-lattice relaxation rates of ¹H and ²D nuclei in Hf₂CoH_1.2 and Hf₂CoD_1.3 compounds with a structure of the Ti₂Ni type have been measured in the temperature range of 80–424 K. The experimental data indicate the coexistence of at least two types of jumplike motion of H (D) atoms with different characteristic frequencies. A neutron-diffraction study of the structure of the Hf₂CoD_1.3 compound showed that the deuterium atoms in this compound occupy octahedral positions 16c and 8a, as well as tetrahedral positions 32e ₁ and 96g ₂. An analysis of the sublattice of positions partially filled with H (D) atoms makes it possible to qualitatively explain the difference in the behavior of the jumplike motion of hydrogen in Hf₂CoH _x (D _x ) from the corresponding behavior in the related system Ti₂CoH _x (D _x ). Original Russian Text ? A.L. Buzlukov, A.V. Soloninin, A.V. Skripov, E.Yu. Medvedev, V.I. Voronin, I.F. Berger, 2009, published in Fizika Metallov i Metallovedenie, 2009, Vol. 107, No. 1, pp. 78–84.     

Structure and magnetic properties of Gd3(Fe1−xTix)29 (x=0.011–0.034)

Single-phase compounds Gd₃(Fe_1−xTi_x)₂₉ (x=0.0110.034) have been synthesized. Gd₃(Fe_1−xTi_x)₂₉ crystallises in a monoclinic lattice with space group P2₁/c, and the crystal structure is refined by the Rietveld technique based on X-ray powder diffraction data. Thermomagnetic analysis indicates that the Curie temperature of the compounds ranges from 517 K to 538 K. The saturation magnetizations of the Gd₃(Fe_1−xTi_x)₂₉ (x=0.011, 0.022, 0.034) at 1.5 K are 103.6, 102.0 and 94.3 Am²/kg, and the anisotropy fields at 1.5 K are 6.0, 6.2 and 6.4T, respectively.     

A substitution of nickel by antimony:: Crystal and electronic structure of the new antimonide Hf6Ni1−xSb2+x

The ternary antimonides Hf₆M_1−xSb_2+x (M=Fe, Co, Ni) were prepared by arc-melting of stoichiometric mixtures of Hf, HfSb₂ and M. According to the single crystal structure analyses, performed on Hf₆NiSb₂ and Hf₆Ni_0.76Sb_2.24, Hf₆M_1−xSb_2+x crystallizes in an ordered variant of the Fe₂P structure type with the M and Sb atoms occupying the two P positions on 1b and 2c of space group P

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2m, respectively (Zr₆CoAl₂ type). The 3d metal atoms M can partially be replaced by antimony, leading to significant, anisotropic changes in the lattice dimensions which are a=765.6(1) pm, c=362.10(7) pm, V=183.81(5)×10⁶pm³ for Hf₆NiSb₂, and a=760.5(1) pm, c=372.40(7) pm, V=186.53(5)×10⁶pm³ for Hf₆Ni_0.76Sb_2.24 as determined by single crystal data. Calculations of the electronic structure of Hf₆NiSb₂ using the Extended Hückel approximation show strong bonding Hf–Hf, Hf–Ni, and Hf–Sb interactions.     

Thermoelectric performance of Mg2−xCaxSi compounds

Thermoelectric materials Mg_2−xCa_xSi (x = 0, 0.01, 0.03, 0.05, 0.07, 0.1) compounds have been prepared by vacuum melting followed by hot-pressing. Effects of the substitution of Ca for Mg on phase structures and the thermoelectric properties of the hot-pressed compounds were investigated. It was found that the alloying of Ca in Mg₂Si based compounds increases the electrical conductivity and decreases the Seebeck coefficient of the compounds, due to the electronegativity difference between Ca and Mg. The dimensionless figures of merit of Mg₂Si and Mg_1.99Ca_0.01Si reach, respectively, 0.41 and 0.34 at 660 K.     

Magnetic properties of Ce3−xGdxCo11B4 borides

The structure and magnetic properties of Ce_3−xGd_xCo₁₁B₄ borides have been studied by X-ray powder diffraction (XRPD), magnetization and differential scanning calorimetry (DSC) measurements. X-ray analysis reveals that the compounds crystallize in the hexagonal Ce₃Co₁₁B₄-type structure with P6/mmm space group. The substitution of Gd for Ce leads to an increase of the unit-cell parameter a and the unit-cell volume V, while the unit-cell parameter c decreases linearly. Magnetic measurements indicate that all samples are ordered magnetically below the Curie temperature. The Curie temperatures increase as Ce is substituted by Gd. The saturation magnetization at 4 K decreases upon the Gd substitution up to x = 1, and then increases.     

Phase composition and magnetic properties of nanocrystalline SmFe11 ? xGaxC1.25 (2 ≤ x ≤ 5) alloys

As-cast and rapidly quenched alloys (RQAs) SmFe_{11 − x} Ga _x C_1.25 (2 ≤ x ≤ 5) have been studied. The RQAs were prepared by melt spinning on a steel wheel rotating at a velocity V = 10−40 m/s. Fragments of the RQAs were annealed in a vacuum at T _ann = 500−850°C. The as-cast alloys are multiphase; the maximum volume fraction in them corresponds to the Sm₂(Fe, Ga)₁₇C compound with a rhombohedral structure. The rapid quenching leads to the formation of the Sm(Fe, Ga)₁₁C compound (1: 11) with a tetragonal BaCd₁₁-type structure; the maximum volume fraction of the compound is reached in the alloy with x = 3 quenched to a wheel rotating at V = 30 m/s. The melt spinnins of the alloys with x = 2−4 at V = 40 m/s is accompanied by their substantial amorphization. During annealing, the amorphous phase crystallizes mainly with the formation of the 1: 11 phase. A nonequilibrium phase diagram of the alloys quenched at V = 40 m/s and annealed at T _ann = 500−850°C has been constructed. The 1: 11 compound has a single-phase region near x = 3 at T _ann ≥ 600°C. As the volume fraction of the 1:11 phase increases, the coercive force H _c of nanocrystalline RQAs increases. The maximum coercive force is observed for the SmFe₈Ga₃C_1.25 alloy quenched at V = 40m/s and subsequently annealed at 700°C; it is 0.8 and 12 kOe at 293 and 50 K, respectively. The high coercive force obtained indicates that the Sm(Fe, Ga)₁₁C phase is magnetically uniaxial and has a high magnetic anisotropy energy. The magnetic anisotropy constant K ₁ of the compound at T = 50 K was estimated to be 3.1 × 10⁷ erg/cm³.     

The magnetic phase diagram of DyFe12−xMox (1.00≤x≤3.00)

The magnetocrystalline anisotropy and magnetic structure of DyFe_12−xMo_x (1.00≤x≤3.00) have been investigated in detail by X-ray diffraction, thermomagnetic analysis, AC magnetic susceptibility, singular point detection technique and angular-magnetization measurement. A magnetic phase diagram of DyFe_12−xMo_x (1.00≤x≤3.00) has been proposed. At room temperature, all DyFe_12−xMo_x compounds exhibit uniaxial anisotropy. At low temperature, a spin reorientation transition of axis-to-cone was observed for DyFe_12−xMo_x compounds with low Mo concentration, x<2.00. The spin reorientation temperature decreases with increasing Mo concentration. For DyFe_12−xMo_x compounds with high Mo concentration, magnetohistory effects were observed below 48 K.     

A neutron diffraction study of the hexagonal pseudo-ternary compounds ErMn6−xFexSn6 (x = 0.2, 0.4, 0.6, 0.8, 1.0, 2.0, 3.0, 4.0)

The hexagonal ErMn_6−xFe_xSn₆ solid solution (0.2 < x < 4) has been studied by magnetisation measurements and neutron diffraction. The ordering temperature of the T = (Mn,Fe) sublattice almost continuously increases from T = 386 K for x = 0.2 to T = 498 K for x = 4. The T sublattice orders in the successive magnetic structures helimagnetic H1, antiferromagnetic AF2, helimagnetic H2 and antiferromagnetic AF1 with increasing iron content. While structures AF2 and H1 were already observed in ternary Mn compounds and AF1 in ternary iron compounds, the structure H2 is of a new kind characterized by an AF slab around the Er(1a) site. At low temperature, a change of the easy direction of the Er moment from easy plane to easy axis is observed. The iron-rich compounds display a ferromagnetic order of the Er sublattice. A new kind of magnetic structure characterized by a sine-wave modulated arrangement with a propagating vector Q = (0, 0, q_z) is also observed. The evolution of the magnetic properties (enhancement of the AF character of the (Mn,Fe) sublattice and magnetocrystalline anisotropy of erbium) is discussed.     

Magnetic phase diagram of CrTe1−xSbx (0.0≤x≤1.0)

Measurements of the high field magnetization of CrTe_1−xSb_x (0.0≤x≤1.0) were carried out at 4.2 K in pulsed magnetic fields up to 300 kOe. The temperature dependence of the magnetization of CrTe_1−xSb_x was measured in the temperature range from 4.2 K to 800 K. The magnetic phase diagram of CrTe_1−xSb_x (0.0≤x≤1.0) was determined, which is similar to the typical one for the mixed crystals of the layered antiferromagnetic and ferromagnetic compounds proposed by de Gennes.     

Thermoelectric properties of hot-pressed Zn4Sb3−xTex

A series of samples have been fabricated through vacuum melting method followed by hot-pressing for Zn₄Sb_3−xTe_x (x = 0.02–0.08), XRD patterns indicated that all the samples were single-phased β-Zn₄Sb₃. Electrical conductivity and Seebeck coefficient were evaluated in the temperature range of 300–700 K, showing p-type conduction. The thermoelectric figure of merit (ZT) was increased with the increase of Te content. ZT values of 0.8 and 1.0 were obtained at 673 K for Zn_4.08Sb₃ and Zn₄Sb_2.92Te_0.08, respectively.     

Magnetic ordering and magnetic properties of ErAuxNi1−xIn (0 ≤ x ≤ 1) solid solution

The ErAu_xNi_1−xIn (0 ≤ x ≤ 1) quasiternary compounds crystallize in the hexagonal layered crystal structure of ZrNiAl-type. ErAuIn was reported to be an antiferromagnet with T_N = 3 K and magnetic moments having triangular arrangement within the basal plane (the magnetic order is described by the propagation vector ). On the contrary ErNiIn is a ferromagnet with T_C = 9 K and magnetic moments pointing along the c-axis. The magnetic ordering in ErAu_xNi_1−xIn (0 < x < 1) solid solution, has been investigated by neutron diffractometry in the temperature range between 1.5 and 15 K. Moreover, bulk magnetic measurements have been carried out in the range 1.72–400 K. All alloys of intermediate composition were found to be antiferromagnets with T_N between 4.6 and 7 K. Below 2 K their magnetic order is described by the propagation vector and magnetic moments are aligned along the c-axis. However, for alloys with 0.2 ≤ x ≤ 0.7 the propagation vector was found to turn into with increasing temperature.     

Influence of Co substitution on magnetoelastic properties of Er2Fe14−xCoxB (x = 1, 3 and 5) intermetallic compounds

The magnetostriction and thermal expansion of Er₂Fe_14−xCo_xB (x = 1, 3 and 5) intermetallic compounds were measured, using the strain gauge method in the temperature range 75–450 K under applied magnetic fields up to 1.5 T. For all samples the longitudinal magnetostriction (λ_l) undergoes an anomaly around the spin reorientation temperature (T_SR). It is also observed that λ_l decreases with increasing the Co content. All compounds show saturation type behaviour in their anisotropic magnetostriction curves at different temperatures and applied fields. The saturation behaviour of the compound with x = 3 occurs at higher temperatures than with x = 1 and 5. The volume magnetostriction strongly increases below μ₀H = 0.3 T, then monotonically rises with applied field up to the spin reorientation temperature. An invar type behaviour is observed above 200 K in the compound with x = 1. The results are discussed based on the temperature dependence of magnetocrystalline anisotropy of compounds below and above their T_SR.     

Study of the electrical conduction behaviour of the Ba1−xLaxTi1−xNixO3 (x 0.10) system

The electrical conduction behaviour of the Ba_1−xLa_xTi_1−xNi_xO₃ (x 0.10) system has been studied by complex plane impedance analysis and measurements of a.c. conductivity in the temperature range 400–575 K. The values of the bulk resistance for these samples are obtained from a circular arc passing through the origin in their impedance plots. A.c. conductivity obeys the relation σ_a.c.αω⁸ in the temperature range of measurements. These results indicate that conduction occurs in this system because of hopping of charge carriers between localized nickel sites.     

Electrical behaviour of hydridofluorides of potassium–calcium KCaH3−xFx with x = 1, 1.5, 2, 2.5

This paper reports the results of the electrical conductivity measurements for KCaH_3−xF_x series with (x = 1, 1.5, 2, 2.5) in the temperature range 298–503 K.The activation energy of the electrical conductivity for the studied compounds depends on hydrogen amount and Reau's criteria. Differential thermal analysis curves were measured in the same temperature range 298–503 K.Possible correspondence between preferential order given by X-ray diffraction, thermal behaviour and electrical properties are discussed.     

Structural, magnetic and electrical properties of (La0.70−xNdx)Sr0.30Mn0.70Cr0.30O3 with 0 ≤ x ≤ 0.30

The structural, magnetic and electrical properties of (La_0.70−xNd_x)Sr_0.30Mn_0.70Cr_0.30O₃ perovskites (0 ≤ x ≤ 0.30) prepared by the usual ceramic procedure were investigated. Structural Rietveld refinement revealed that these compounds crystallize in a rhombohedral perovskite structure when x = 0, 0.10 and 0.20, while for x = 0.30 the structure becomes orthorhombic (Pbnm). It was found that the substitution of La by Nd reduces the Curie temperature (T_C). The FC, ZFC, M(H) and AC susceptibility measurements show typical canted-antiferromagnetism for the Nd-doped samples, in which a ferromagnetic component coexists with predominant antiferromagnetic interactions. The values of the magnetization (M(H)) decrease very slightly when increasing the Nd content, compared to the undoped sample (M_S values at 5 T and 2 K are, respectively, 47.9, 47.3 and 47.5 emu/g for x = 0.10, 0.20 and 0.30, compared to 48.2 emu/g for x = 0), indicating that the Nd³⁺ contribution is negligible compared to the total moment of the ferromagnetic (Mn/Cr) network. The resistivity increases by several orders of magnitude with Nd-doping and the semi-conducting behaviour persists in the whole temperature range. The interaction between Mn⁴⁺–O–Cr³⁺and Cr³⁺–O–Cr³⁺ is responsible for the semi-conducting state.     

Magnetic and structural properties of the chromium-based Mn1−xCdxCr2S4 thiospinel

The (Mn_1−xCd_x)Cr₂S₄ phases (0 ≤ x ≤ 0.6) have been synthesized from the corresponding elements at 1123 K. These samples were characterized by powder X-ray diffraction (XRD) and magnetic susceptibility. The (Mn_1−xCd_x)Cr₂S₄ compounds crystallize in the space group Fd-3m with cell parameters a = 10.101(6) Å, 10.139(3) Å, 10.165(2) Å, and 10.192(1) Å for x = 0, 0.2, 0.4 and 0.6, respectively. An overall ferrimagnetic behavior is observed for all samples. The ferromagnetic component increases rapidly when manganese is substituted by non-magnetic cadmium, as shown by ZFC/FC measurements. At the same time, the value of the magnetization M₅₀ at 50 kOe, deduced from M(H) loops, also increases with increasing cadmium content because the antiferromagnetic alignment between chromium and manganese spins is progressively lost, leading toward well aligned moments pointing into the same direction. These results are explained by a rearrangement of the chromium spins when Mn located at the tetrahedral sites, is substituted by Cd.     

Substrates effect on Zn1−xMnxO thin films grown by RF magnetron sputtering

In this paper, we have presented the surface effect of the substrates on Mn doped ZnO (Zn_1−xMn_xO) thin films grown on Si(1 0 0) and sapphire [i.e. Al₂O₃(0 0 0 1)] by RF magnetron sputtering. These grown films have been characterized by X-ray diffraction (XRD), photoluminescence (PL) and vibrating sample magnetometer (VSM) to know its structural, optical and magnetic properties. All these properties have been found to be strongly influenced by the substrate surface on which the films have been deposited. The XRD results show that the Mn doped ZnO films deposited on Si(1 0 0) exhibit a polycrystalline nature whereas the films on sapphire substrate have only (0 0 2) preferential orientations indicating that the films are single crystalline. The studies of room temperature PL spectra reveal that the Zn_1−xMn_xO/Si(1 0 0) system is under severe compressive strain while the strain is almost relaxed in Zn_1−xMn_xO/Al₂O₃(0 0 0 1) system. It has been observed from VSM studies that Zn_1−xMn_xO/Al₂O₃(0 0 0 1) system shows ferromagnetic nature while the paramagnetic behaviour observed in Zn_1−xMn_xO/Si(1 0 0) system.     

The role of valence electron concentration in the cohesive properties of YBxN1−x, YCxN1−x and YNxO1−x compounds

The mechanical properties are not yet understood at basic levels. Previous works shows that the greatest hardness for rock-salt structures (such as TiC_xN_1−x) is attained for a valence electron concentration (VEC) of 4.2 electrons per atom. The present work is aimed to explore this concept for yttrium-based compounds. By means of first principles calculations we did a systematical investigation where nitrogen in YN (VEC = 4) was supplanted by either of B, C or O to reduce or increase its VEC, forming YB_xN_1−x, YC_xN_1−x and YN_1−xO_x ternary compounds. We have calculated the cohesive energy (E_O), cell volume (V_O), bulk modulus (B_O) and density of states (DoS) as a function of VEC. The Fermi level (E_f,) is shifted toward the valence band by substituting B or C in YN, and toward the conduction band by means of O. It is concluded that the optimal position for E_f (maximum B_O) is linked to the saturation of electronic states with e_g-symmetry. At this point the excess of electrons provided by O starts filling antibonding states with t_2g-symmetry. That is, B_O increases monotonically as a function of VEC until VEC  4.1, after that point B_O decrease.