The crystal structures and physical properties of the solid solution compound Ba5Y8-xMn4O21-1.5x (x=0, 1)

New oxometallides with the formula Ba5Y8 xMn4O21 1.5x(x = 0,1) are prepared through an atmospherecontrolled solid-state reaction.Two single-phase samples with Ba/Y/Mn atomic ratios 5/8/4(Y8) and 5/7/4(Y7) are obtained.The crystal structures and the physical properties of the compounds are investigated by X-ray powder diffraction,magnetization,conductivity,and dielectricity measurements.The Ba5Y8 xMn4O21 1.5x compound is demonstrated to be a Y-deficient solid solution.The solid solution compound Ba5Y8 xMn4O21 1.5x crystallizes into tetragonal symmetry with the space group I4/m.Detailed structure analysis by Rietveld refinement of the X-ray powder diffraction data reveals that the Y vacancies occur preferentially at the Y(2) site.Thermal magnetization measurements indicate the presence of antiferromagnetic interaction between Mn ions in the compounds,and temperature-dependent resistivity measurements show that insulator-semiconductor transitions occur around 175 K and 170 K for the Y8 and Y7 samples,respectively.Strong frequency dependences of the dielectric constant are observed above ～175 K for the two compounds.     

The crystal structures and physical properties of the solid solution compound Ba5Y8-xMn4021-1.5x （x = 0, 1）

New oxometallides with the formula Ba5Y8-xMn4021-1.5x （x = 0, 1） are prepared through an atmosphere-controlled solid-state reaction. Two single-phase samples with Ba/Y/Mn atomic ratios 5/8/4 （Y8） and 5/7/4 （Y7） are obtained. The crystal structures and the physical properties of the compounds are investigated by X-ray powder diffraction, magnetization, conductivity, and dielectricity measurements. The Ba5Y8-xMn4021-1.5x compound is demonstrated to be a Y-deficient solid solution. The solid solution compound Ba5Y8-xMn4021-1.5x crystallizes into tetragonal symmetry with the space group I4/m. Detailed structure analysis by Rietveld refinement of the X-ray powder diffraction data reveals that the Y vacancies occur preferentially at the Y（2） site. Thermal magnetization measurements indicate the presence of antiferromagnetic interaction between Mn ions in the compounds, and temperature-dependent resistivity measurements show that insulator-semiconductor transitions occur around 175 K and 170 K for the Y8 and Y7 samples, respectively. Strong frequency dependences of the dielectric constant are observed above -175 K for the two compounds.     

Giant magnetocaloric effect in Tb5Ge2-xSi2-xMn2x compounds

The crystal structure,magnetic and magnetocaloric characteristics of the pseduo ternary compounds of Tb5Ge2 xSi2 xMn2x(0 ≤ 2x ≤ 0.1) were investigated by x-ray powder diffraction and magnetization measurements.The x-ray powder diffraction results show that all compounds preserve the monoclinic phase as the majority phase and all the synthesized compounds were observed to be ferromagnetic from magnetization measurements.Magnetic phase transitions were interpreted in terms of Landau theory.Maximum isothermal magnetic entropy change value(20.84 J.kg-1.K-1) was found for Tb5Ge1.95Si1.95Mn0.1 at around 123 K in the magnetic field change of 5 T.     

Preparation and the physical properties of antiperovskite-type compounds Cd_1-xIn_x NNi₃（0 ≤x≤ 0.2） and Cd_1-yCu_yNNi₃（0≤y≤0.2）

Two series of Cd1-xInx NNi3(0 ≤x≤ 0.2) and Cd1-yCuyNNi3(0≤y≤0.2) samples were prepared from CdO, In2O3 , CuO, and nickel powders under NH3 atmosphere at 773K. The structural and physical properties were investigated by means of X-ray powder diffraction temperature-dependent resistivity and magnetic measurements. X-ray powder diffraction results showed that the Cd 1 x In x NNi 3 and Cd 1 y Cuy NNi 3 compounds have a typical antiperovskite structure, and the CdNNi3, Cd0.9 In 0.1 NNi3 , and Cd0.9Cu0.1NNi3 compounds show metallic temperature-dependent resistivity and exhibit a Fermi liquid behavior at low temperature. In contrast to the paramagnetism previously reported, the CdNNi 3 sample exhibits very soft and weak ferromagnetism, and no superconductivity was found in the Cd 1 x In x NNi 3 and Cd 1 y Cu y NNi 3 samples down to 2 K. Each sample exhibited very soft and weak ferromagnetism, and the temperature dependence of the magnetization of the Cd 1-xInx NNi 3 and Cd1-y Cu y NNi 3 samples can be well fitted to the combination of a Bloch term and a Curie–Weiss term.     

The doping effects of BiFe_1-xCo_xO₃（x=0.0-0.8） in layered perovskite Bi₄Ti₃O₁₂ ceramics

Bi5Fe1-xCoxTi3O15(x = 0.0, 0.2, 0.4, 0.5, 0.6, and 0.8) multiferroic ceramics are synthesized in two steps using the solid state reaction technique. X-ray diffraction patterns show that the samples have four-layer Aurivillius phases. At room temperature (RT), the samples each present a remarkable coexistence of ferromagnetism (FM) and ferroelectricity (FE). The remnant polarization (2P r ) reaches its greatest value of 14 μC/cm 2 at x = 0.6. Remnant magnetization (2M r ) first increases and then decreases, and the greatest 2M r is 7.8 menu/g when x = 0.5. The magnetic properties for x = 0.4 are similar to those for x = 0.6, indicating that the magnetic properties originate mainly from the coupling between Fe 3+ and Co 3+ ions, rather than from their own magnetic moments.     

Structural analysis and crystal-field calculations of Nd³⁺ in Gd_x Lu_1-x TaO₄（x = 0.85） polycrytalline

The crystal structural parameters of Nd 3+-doped rare earth orthotantalate Gd x Lu 1 x TaO 4(x = 0.85) are determined by applying the Rietveld refinement to its X-ray diffraction,and its emission and excitation spectra at 77 K are analysed.The relativistic model of ab initio self-consistent DV-Xα method,which is applied to the cluster NdO 8 in Gd x Lu 1 x TaO 4,and the effective Hamiltonian model are used to investigate its spin-orbit and crystal-field parameters.The free-ions and crystal-field parameters are fitted to the experimental energy levels at 77 K with a root-mean-square deviation of 14.92 cm 1.According to the crystal-field calculations,96 levels of Nd 3+ are assigned.Finally,the fitting results of free-ions and crystal-field parameters are compared with those already reported for Nd 3+:YAlO 3.The results indicate that the free-ion parameters are similar to those of the Nd3+ in Gdx Lu1-x TaO4 and YAlO 3 hosts,and the crystal-field interaction of Nd3+ in Gdx Lu1-x TaO4 is stronger than that in YAlO 3.     

EFFECT OF MANGANESE SUBSTITUTION IN R2AlFe16-x Mnx(R=Y,Ho,Nd AND Pr)COMPOUNDS ON STRUCTURAL AND MAGNETIC PROPERTIES

The structural and magnetic properties of R₂AlFe_16-xMn_x(0≤x≤8 for Y,Ho,0≤x≤10 for Pr, 0≤x≤16 for Nd)compounds have been investigated by means of X-ray diffraction and magnetization measurements.The R₂AlFe_16-xMn_x compounds have a hexagonal Th₂Ni₁₇-type structure for R=Y and Ho, and a rhombohedral Th₂Zn₁₇-type structure for Nd and Pr.With increasing x,the unit-cell volumes have a small increase initially,followed by a greater linear increase.The Curie temperature and the saturation magnetizati on of these compounds show marvelous drop with increasing x.Compensation point was observed in the temperature dependence of the magnetization for Ho₂AlFe₁₂Mn₄ compound.     

MAGNETIC PROPERTIES OF Dy2Fe17-xCrx AND Er2Fe17-xCrx(x=0-3)COMPOUNDS

The crystal structure and magnetic properties of R₂Fe_17-xCr_x(R=Dy,Er,0≤x≤3) compounds have been investigated by me ans of X-ray diffraction and magnetization measurements. These compounds have hexagonal Th₂Ni₁₇-type structure. The unit-cell volumes decrease with the increase of Cr concentration x. The Curie temperature T_c of the Er₂Fe_17-xCr_x compounds increases from 320 K for x=0 to 403 K for x=1.0 and then decreases with further increase of x. The Cur ie temperat ure T_c of Dy₂Fe_17-xCr_x compounds increases from 364 K for x=0 to 435 K for x=1.0 and then decreases with further increase of x. The saturation magnetization of these compounds shows an approximately linear decrease with the increase of x. Spin reorientation transitions occur s in Er₂Fe_17-xCr_x(x=2.0 and 3.0).     

Magnetocaloric effects in Mn1.35Feo.65P1-xSix compounds

The structural and magnetocaloric properties of Mn1.35Fe0.65P1-xSix compounds are investigated.The Sisubstituted compounds,Mn1.35Fe0.65P1-xSix with x = 0.52,0.54,0.55,0.56,and 0.57,are prepared by high-energy ball milling and the solid-state reaction.The X-ray diffraction shows that the compounds crystallize into the Fe 2 P-type hexagonal structure with space group P■2m.The magnetic measurements show that the Curie temperature of the compound increases from 253 K for x = 0.52 to 296 K for x = 0.56.The isothermal magnetic-entropy change of the Mn1.35Fe0.65P1-xSix compound decreases with the Si content increasing.The maximal value of the magnetic-entropy change is about 7.0 J/kg·K in the Mn1.35Fe0.65P0.48Si0.52 compound with a field change of 1.5 T.The compound quenched in water possesses a larger magnetic entropy change and a smaller thermal hysteresis than the non-quenched samples.The thermal hysteresis of the compound is less than 3.5 K.The maximum adiabatic temperature change is about 1.4 K in the Mn1.35Fe0.65P0.45Si0.55 compound with a field change of 1.48 T.     

R-site cation randomness effect in the A-site ordered Y0.5La0.5BaMn2O6 compound

The R/Ba-ordered and R-site mixed compound Y0.5La0.5BaMn2O6 is synthesized, in which (Y, La) and Ba are regularly arranged, while Y and La randomly occupy the R-site. Y0.5La0.5BaMn2O6 has a tetragonal unit cell with a space group of P4/mmm. A structural transition between tetragonal and orthorhombic is observed at about 325 K by X-ray powder diffraction (XRD). Thermal magnetic measurement shows the occurrence of an antiferromagnetic transition at the temperature TN～190 K. Anomalies in magnetization, resistivity and lattice parameters observed around 340 K indicate a charge/orbital order transition accompanying the structural phase transition. The R-site randomness effect is discussed to interpret the different properties of Y0.5La0.5BaMn2O6 between NdBaMn2O6 and SmBaMn2O6.     

Phase relations in the ZnO-V2O5-K2O system

The subsolidus phase relations of a ZnO-V 2 O 5-K 2 O system are investigated by X-ray powder diffraction.There is 1 ternary compound,11 binary compounds and 14 three-phase regions in this system.The phase diagrams of V 2 O 5 K 2 O with the K 2 O content ranging from 0 to 71 mol% and pseudo-binary system of ZnO-K 2 ZnV 2 O 7 are also studied by X-ray powder diffraction and differential thermal analysis methods.     

Magnetic Properties and Magnetoresistance Effect of YMn6 Sn6—x Crx （x=0—0.8） Compounds

The magnetic properties and magnetoresistance effect of YMn6Sn6-x Crx(x=0-0.8) compounds have been experimentally studied by magnetic properties and resistivity measurements in the applied field range 0-5T.The compound (x=0.8) displays a ferromagnetic behaviour,while the compounds (x=0-0.4) display an antiferromagnetic behaviour in the whole ordering temperature range.The compounds(x=0.5,0.6) experienced a transition from an antiferromagnetic state to a ferromagnetic state with increasing temperature.The compound with x=0.8 is rapidly saturated in the lower magnetic field with saturation magnetization of 35.92emu/g.The compounds(x=0-0.6) display a field-induced metamagnetic transition,and the threshold fields decrease with increasing Cr content.The cell-volume V of compounds(x=0-0.8) increases,and the ordering temperature decreases with the increasing Cr content.A large magnetoresistance effect was observed for the compounds (x=0.4,0.5),and the maximum absolute value at 5K are 32% and 24% under 5T for x=0.4 and x=0.5,respectively.     

Structural,M?ssbauer spectroscopy,magnetic properties,and thermal measurements of Y(3-x)Dy_x Fe_5O_(12)

Yttrium iron garnet powder samples((3-x)Dy_x Fe_5O_(12)), where part of yttrium ions are substituted by dysprosium ions with different concentrations are prepared by the solid state reaction method. The properties of the prepared samples are examined by different methods such as x-ray diffraction(XRD), Mssbauer spectroscopy, macroscopic magnetization measurements, and thermal measurements. The XRD measurements show that all the samples reveal the presence of a single garnet phase with a BCC structure. Room temperature Mssbauer spectra indicate that iron ions occupy three magnetic sites, i.e., two octahedral sites and one tetrahedral site. The saturation magnetization and the initial magnetic susceptibility decrease with the increase of Dy~(3+) substitution. The Curie temperature obtained from the thermal measurements seems to be independent of Dy~(3+) substitution.     

Anomalous thermal expansion and spontaneous magnetostriction of Gd2Fe16Cr compound

The structural and the magnetic properties of Gd 2 Fe 16 Cr compound are investigated by x-ray diffraction and magnetization measurements.The Gd 2 Fe 16 Cr compound has a rhombohedral Th 2 Zn 17-type structure.There exist an anisotropic strong spontaneous magnetostriction and a negative thermal expansion in the magnetic state of Gd 2 Fe 16 Cr compound.The average thermal expansion coefficient ā=-7.03 × 10-6 /K in a temperature range of 294-454 K and ā=-1.31 × 10-5 /K in 454-572 K are obtained.The spontaneous magnetostrictive deformation and the Curie temperature are discussed.     

Thermal Expansion Anomaly and Spontaneous Magnetostriction of Y2Fe14Al3 Compound

The structure and magnetic properties of Y2Fe14Al3 compound are investigated by means of x-ray diffraction and magnetization measurements. The Y2Fe14Al3 compound has a hexagonal Th2Ni17-type structure. Negative thermal expansion is found in Y2Fe14Al3 compound in the temperature range from 403 to 491K by x-ray dilatometry. The coefficient of the average thermal expansion is α^- = -2.54Х 10^-5 K^-1. The spontaneous magnetostrictive deformations from 283 to 470 K are caJculated by means of the differences between the experimental values of the lattice parameters and the corresponding values extrapolated from the paramagnetic range. The result shows that the spontaneous volume magnetostrictive deformation ωs decreases from 5.74 × 10^-3 to nearly zero with temperature increasing from 283 to 470K, the spontaneous linear magnetostrictive deformation λc along the c-axis is larger than the spontaneous linear magnetostrictive deformation λa in basal-plane in the same temperature below 350 K.     

Predictions of pressure-induced structural transition,mechanical and thermodynamic properties of α-and β-Si₃N₄ ceramics:ab initio and quasi-harmonic Debye modeling

The plane-wave pseudo-potential method within the framework of ab initio technique is used to investigate the structural and elastic properties of α-and β-Si3N4.The ground-state parameters accord quite well with the experimental data.Our calculation reveals that α-Si3N4 can retain its stability to at least 40 GPa when compressed at 300 K.The α→β phase transformation would not occur in a pressure range of 0-40 GPa and a temperature range of 0-300 K.Actually,the α→β transition occurs at 1600 K and 7.98 GPa.For α-and β-Si3N4,the c axes are slightly more incompressible than the a axes.We conclude that β-Si3N4 is a hard material and ductile in nature.On the other hand,β-Si3N4 is also found to be an ionic material and can retain its mechanical stability in a pressure range of 0-10 GPa.Besides,the thermodynamic properties such as entropy,heat capacity,and Debye temperature of α-and β-Si3N4 are determined at various temperatures and pressures.Significant features in these properties are observed at high temperature.The calculated results are in good agreement with available experimental data and previous theoretical values.Many fundamental solid-state properties are reported at high pressure and high temperature.Therefore,our results may provide useful information for theoretical and experimental investigations of the Si3N4 polymorphs.     

Negative Thermal Expansion and Spontaneous Magnetostriction of Nd2Fe16.5Cr0.5 Compound

The structural,thermal expansion,and magnetic properties of the Nc/2^16.5^0.5 compound are investigated by means of x-ray diffraction and magnetization measurements.The Nd2^616.560.5 compound has a rhombohedral Th2Znn-type structure.There exists a small negative thermal expansion resulting from a spontaneous magnetostriction in the magnetic state of the^2^16.5 Cr0.5 compound.The average thermal expansion coefficient is-1.06×10^6/K in a temperature range 299-394 K.The spontaneous magnetostrictive deformation and the Curie temperature are discussed.     

Magnetic properties and magnetoresistance effect of Y1-xGdxMn6Sn6 (x=0－1) compounds

The magnetic properties and magnetoresistance effect of Y_1-xGd_xMn₆Sn₆ (x=0－1) compounds have been investigated by magnetization and resistivity measurements in the applied field range (0－5 T). Compounds with x=0.4－1 display ferrimagnetic behaviours in the whole magnetic ordering temperature range, while compounds with x=0－0.2 display a field-induced metamagnetic transition, and the threshold fields decrease with increasing Gd content. The compounds with x=0.1－0.2 undergo an antiferromagnetic to ferromagnetic transition with increasing temperature. The cell-parameter a and c and cell-volume V of compounds (x=0－1) increase with increasing Gd content. It was found that the saturation magnetization M_s of the compounds (x=0.4－1) decreases, while the ordering points of the compounds (x=0－1)increase with increasing Gd content. A large MR effect was observed in the compound with x=0.2, and the maximum absolute value of MR at 5 K under 3 T is close to 19.3%.     

Structural and magnetic properties of BiFe_(1-x)Cr_xO_3 synthesized samples

Chromium doping effects on the structure and the magnetic properties of bismuth ferrite BiFe1-xCrxO3 （x = 0-0.3） （BFCxO） polycrystalline samples are examined. The Perovskite-type oxide samples are synthesized by the conventional solid state reaction at a high pressure of 7 GPa and a temperature of 1273 K. The X-ray powder diffraction patterns at room temperature show that all the samples with x = 0.0-0.3 are described by the rhombohedral structure. In the meantime, it is revealed that the doping of Cr can induce noticeable lattice distortions in the doping samples, and the largest distortion is observed in the case x = 0.1. The magnetic hysteresis loops measured at room temperature exhibit week ferromagnetic behaviors of the samples and the magnetization is found to increase with the increase in Cr concentration. The temperature- dependent magnetization curves indicate antiferromagnetic features in samples. Moreover, Cr-doping tends to reduce the ordering temperature.     

Magnetic properties and magnetoresistance of HfFe2Ge2-type Dy1-xGdxMn6Ge6 (x=0.1－0.6) compounds

The magnetic properties and magnetoresistance effects of Dy_{1-x}Gd_xMn_6Ge_6 (x=0.1－0.6) compounds have been studied by magnetic properties and resistivity measurements in applied magnetic fields up to 5T. The compounds with x=0.1, 0.2, 0.4 and 0.5 order antiferromagnetically at 425, 428, 430 and 432K, respectively, and there are second magnetic phase transitions below 100K. The compound with x=0.6 exhibits a transition from ferrimagnetic to antiferromagnetic, then to ferrimagnetic state again with decreasing temperature. Furthermore, it displays a field-induced metamagnetic transition, and its threshold field decreases with increasing temperature. The magnetoresistance curve of the compound with x=0.6 in applied magnetic fields up to 5T is presented and the magnetoresistance effects are related to the metamagnetic transitions.