Thermoelectric power of Ba(Fe1−x Co x )2As2 (0 ≤ x ≤ 0.05) and Ba(Fe1−x Rh x )2As2 (0 ≤ x ≤ 0.171)

Temperature-dependent, in-plane, thermoelectric power data are presented for single crystals of Ba(Fe_1?x Co _x )₂As₂ (0?≤?x?≤?0.05) and Ba(Fe_1?x Rh _x )₂As₂ (0?≤?x?≤?0.171). Given that previous thermoelectric power and angle resolved photoemission spectroscopy studies of Ba(Fe_1?x Co _x )₂As₂ delineated a rather large Co-concentration range for Lifshitz transitions to occur, and the underdoped side of the phase diagram is poorly explored, new measurements of thermoelectric power on tightly spaced concentrations of Co, 0?≤?x?≤?0.05, were carried out. The data suggest evidence of a Lifshitz transition, but instead of a discontinuous jump in thermoelectric power in the range 0?≤?x?≤?0.05, a more gradual evolution in the S(T) plots as x is increased was observed. The thermoelectric power data of Ba(Fe_1?x Rh _x )₂As₂ show very similar behavior to that of Co substituted BaFe₂As₂. The previously outlined T–x phase diagrams for both systems are further confirmed by these thermoelectric power data.     

On-line phase transition in La1− x Sr x MnO3 (0.28 ≤ x ≤ 0.36) perovskites through ultrasonic studies

La_{1? x} Sr _x MnO₃ perovskite manganite materials with different compositions (x?=?0.28, 0.31 and 0.36) have been prepared employing solid-state reaction technique. On-line evaluation of ultrasonic velocities and longitudinal attenuation of the above samples has been done over a wide range of temperatures using the transmission method. The observed anomalies in velocities, attenuation and elastic moduli reveal the occurrence of lattice softening and hardening near Curie temperature. The observed dramatic hardening in sound velocities and softening in attenuation are correlated with the phase transition, i.e. ferromagnetic to paramagnetic. The increase in magnitude of maximum velocity with change in Sr content at T _c indicates the existence of linear magnetostriction effect. The elastic moduli study elucidates the observations made from the above-mentioned studies. The variation in the ultrasonic velocities, longitudinal attenuation and its derived parameters help us to understand the competitions between ferromagnetism and paramagnetism.     

Structure and electrochemical performance of LiV x Mn2 − x O4 (0 ≤ x ≤ 0.20) cathode materials for rechargeable lithium ion batteries

LiMn₂O₄ and vanadium-substituted LiV _x Mn_2???x O₄ (x?=?0.05, 0.10 0.15 and 0.20) cathode materials were synthesized by sol–gel method using aqueous solutions of metal nitrates and tartaric acid as chelating agent at 600 °C for 10 h. The structure and electrochemical properties of the synthesized materials were characterized by using X-ray diffraction, SEM, TEM and charge–discharge studies. X-ray powder diffraction analysis was changed in lattice parameters with increasing vanadium content suggesting the occupation of the substituent within LiMn₂O₄ interlayer spacing. TEM and SEM analyses show that LiV_0.15Mn_1.85O₄ has a smaller particle size and more regular morphological structure with narrow size distribution than LiMn₂O₄. It is concluded that the structural stability and cycle life improvement were due to many factors like better crystallinity, smaller particle size and uniform distribution compared to the LiMn₂O₄ cathode material. The LiV_0.15Mn_1.85O₄ cathode material has improved the structural stability and excellent electrochemical performances of the rechargeable lithium ion batteries.     

Ultrasonic evidence for short-range charge-ordering state in the low-doping regime of La1– x Sr x FeO3 (1/3 ≤ x ≤ 0.45)

The longitudinal ultrasonic velocity (V) and attenuation at a frequency of 10?MHz, as well as magnetization and resistivity, have been measured in the single-phase polycrystalline La_{1– x} Sr _x FeO₃ (x?=?1/3, 0.4, 0.45). Upon cooling down from high temperature, a slight softening in V and dramatic stiffening are observed in all samples, and this stiffening is coincided with a big attenuation peak. The relative increase of V is proportional to the Sr concentration, which implies that this anomaly is strongly correlated with Fe⁴⁺. However, no obvious changes in magnetic and electric properties are found at this temperature range. The analysis suggests that this feature may be caused by the Jahn–Teller effect of Fe⁴⁺ and correspond to the formation of short-range charge-ordering state.     

Structural and magnetic properties with reversible magnetocaloric effect in PrSr1–xPbxMn2O6 (0.1 ≤ x ≤ 0.3) double perovskite manganite structures

In this study, the effect of Pb substitution with Sr on structural, magnetic and magnetocaloric properties in Pr(Sr_1–xPb_x)Mn₂O₆ (0.1?≤?x?≤?0.3) double perovskite manganite compounds prepared by the sol–gel method has been reported. Crystallinity has been worked by X-ray diffraction measurement and the Rietveld refinement method, which shows all samples are in monoclinic structure with P21/n space group without impurity phase. Scanning electron microscope analysis shows that all samples constituted from square-shaped grains with distinct grain boundaries, and energy-dispersive X-ray spectroscopy analysis shows that all expected elements are detected and there is no impurity element in the sample. All samples exhibit a magnetic phase transition from ferromagnetic to paramagnetic phase at T_C determined as 274, 282 and 286?K for x?=?0.1 (PSPM-1), 0.2 (PSPM-2) and 0.3 (PSPM-3) in the PrSr_1–xPb_xMn₂O₆ structure, respectively. Isothermal magnetisation curves near T_C are used to determine the nature of the magnetic phase transition and the magnetic entropy change values (?ΔS_M), which are found as 2.78, 3.11 and 3.52?J?kg^?1?K^?1 for PSPM-1, PSPM-2 and PSPM-3 samples, respectively. Relative cooling power (RCP) values of the samples are also determined as 241, 311 and 246?J?kg^?1 for PSPM-1, PSPM-2 and PSPM-3 samples, respectively. ΔS_M and RCP values are also calculated by using the Landau theory and the results are in accordance with the experimental results, which indicate the role of electron condensation energy and magneto-elastic coupling in magnetic entropy change value of the samples.     

Cluster Method Calculation of the Curie Temperature and Exchange Parameters for the Magnetocaloric Compounds MnFeAs x P1 − x (0.25 ≤ x ≤ 0.65) and Hexagonal MnFeAs

A wealth of experimental and theoretical data on the crystallographic and magnetic properties of the magnetocaloric compounds MnFeAs _x P_1???x (0.25?≤?x?≤?0.65) and MnFeAs has become available in the last decade. By analyzing the data and treating the spin interactions with Callen’s cluster expansion method, we extrapolate first-principle results for the exchange-coupling constants of MnFeAs to the P-substituted compounds and find Curie temperatures that agree, within 5 % deviation, with experiment. Simulations with different coupling parameters show that T _c is weakly dependent on the Fe–Fe interactions. Analysis of lattice expansion as a function of composition shows that changes in the lattice parameters a and c have opposite effects upon the strength of the magnetic interactions between ions. The results indicate that the cluster expansion method provides reliable estimates of magnetic properties, even for metallic compounds characterized by multiple interactions among ions with distinct magnetic moments.     

Structural,dielectric and Raman scattering studies of (1− x )PbMg1/3Nb2/3O3– x PbTiO3 single crystals (0 ≤ x ≤ 0.38)

The X-ray powder diffraction, dielectric and Raman studies of the (1???x) PbMg_1/3Nb_2/3O₃–xPbTiO₃ (0?≤?x?≤?0.38) single crystals were performed in a wide temperature range. The results of these complementary studies revealed that with the increase in PT content, the relaxor behaviour transforms into the ferroelectric one and a sequence of different structural phase transitions occur. On the base of the structural and dielectric results the phase diagram was determined. In addition, these results were used as a base for the group theory analysis and interpretation of the observed Raman spectra. The Raman spectra were deconvoluted using the independent damped oscillator model. From this model the temperature dependencies of the wavenumbers, reduced intensities and line widths were determined.     

Optical properties of TlGaxIn1-xSe2-layered mixed crystals (0.5 ≤ x ≤ 1) by spectroscopic ellipsometry,transmission, and reflection measurements

The layered semiconducting TlGa_xIn_1-xSe₂-mixed crystals (0.5?≤?x?≤?1) were studied for the first time by spectroscopic ellipsometry measurements in the 1.2–6.2?eV spectral range at room temperature. The spectral dependence of the components of the complex dielectric function, refractive index, and extinction coefficient were revealed using an optical model. The interband transition energies in the studied samples were found from the analysis of the second-energy derivative spectra of the complex dielectric function. The effect of the isomorphic cation substitution (indium for gallium) on critical point energies in TlGa_xIn_1-xSe₂ crystals was established. Moreover, the absorption edge of TlGa_xIn_1-xSe₂ crystals have been studied through the transmission and reflection measurements in the wavelength range of 500–1100?nm. The analysis of absorption data revealed the presence of both optical indirect and direct transitions. It was found that the energy band gaps decrease with the increase of indium content in the studied crystals.     

Optical constants for Ge30− x Se70Ag x (0 ≤ x ≤ 30 at%) thin films based only on their reflectance spectra

In this paper, different homogenous compositions of Ge_{30? x} Se₇₀Ag _x (0?≤?x?≤?30 at%) thin films were prepared by thermal evaporation. Reflection spectra, R(λ), for the films were measured in the wavelength range 400–2500?nm. A straightforward analysis proposed by Minkov [J. Phys. D: Appl. Phys. 22 (1989) p.1157], based on the maxima and minima of the reflection spectra, allows us to derive the real and imaginary parts of the complex index of refraction and the film thickness of the studied films. Increasing Ag content at the expense of Ge atoms is found to affect the refractive index and the extinction coefficient of the films. The dispersion of the refractive index is discussed in terms of the single-oscillator Wemple–DiDomenico model. Optical absorption measurements were used to obtain the fundamental absorption edge as a function of composition. With increasing Ag content, the refractive index increases while the optical band gap decreases. The compositional dependence of the optical band gap for the Ge_{30? x} Se₇₀Ag _x (0?≤?x?≤?30) thin films is discussed in terms of the chemical bond approach.     

Microstructure of annealed Ti48.5Ni(51.5– x )Cu x (x = 6.2–33.5) thin films

(Ni, Cu)-rich Ti–Ni–Cu amorphous films with a Cu content of 6.2–33.5 at. % formed by sputtering were annealed at 773, 873 and 973 K for 1 h and their microstructures investigated. Two types of precipitate were observed in the annealed films: a Ti(NiCu)₂ phase for the Ti_48.5Ni₄₀Cu_11.5, Ti_48.6Ni_35.9Cu_15.5, Ti_48.3Ni_28.4Cu_23.3 and Ti_48.3Ni_23.9Cu_27.8 films, plus a TiCu phase for the Ti_48.5Ni₁₈Cu_33.5 films. These precipitates were found to have coherency with the B2 matrix in the films annealed at 773 K and were densely distributed within the grains. However, in the films annealed at 873 K, their size increased 10-fold and their density decreased. Annealing at 973 K promoted grain-boundary precipitation and, accordingly, the density of the precipitates in the grain interiors decreased. On the other hand, the annealed Ti_48.9Ni_44.9Cu_6.2 films showed no precipitates in their grain interiors, but the number of grain-boundary precipitates increased with increasing annealing temperature. It was also found that grain size decreased with increasing Cu content and was significantly decreased for the Ti_48.5Ni₁₈Cu_33.5 films.     

Influence of Cr and Fe on magnetic phase transition and magnetocaloric effect in Co2(Cr1-xFex)Al, (x ≤ 0 ≤ 1) soft magnetic Heusler alloys

The structural measurement indicates that the system possesses A2 to B2 phase transformation at the extent of A2 phase at room temperature. The present system shows first order magneto-structural transformation (FOMST). The substitution of Cr by Fe causes a vital role for an increase in magnetocaloric properties. The change in magnetic entropy (ΔS_M) and relative cooling power (RCP) are evaluated under an applied field of 20 KOe that shows drastic changes near the blocking temperature under the specific temperature regime. In the vicinity of these observed properties, critical exponent parameters such as, β, ? and δ were also observed using field dependence magnetic entropy change.     

A review on the mineral chemistry of the non-stoichiometric iron sulphide,Fe1− x S (0 ≤ x ≤ 0.125): polymorphs,phase relations and transitions,electronic and magnetic structures

Fe_{1? x} S (0?≤?x?≤?0.125), the pyrrhotite group minerals are extremely complex in their chemical and physical properties, which largely attribute to the various non-stoichiometric compositions and myriad superstructures. In this article, a review is focused on the crystal structures, phase relations and transition of the pyrrhotite group minerals.     

Shape memory behaviour of annealed Ti48.5Ni(51.5− x )Cu x (x = 6.2–33.5) thin films

The shape memory behaviour of (Ni,Cu)-rich Ti–Ni–Cu thin films (Ti_48.9Ni_44.9Cu_6.2, Ti_48.5Ni₄₀Cu_11.5, Ti_48.6Ni_35.9Cu_15.5, Ti_48.3Ni_28.4Cu_23.3, Ti_48.3Ni_23.9Cu_27.8 and Ti_48.5Ni₁₈Cu_33.5) annealed at 773, 873 and 973 K for 1 h was investigated. The films with 6.2, 11.5–15.5 and 23.3–33.5 at% Cu showed a single-stage deformation due to a B2 ? B19′ transformation, a two-stage deformation due to the B2 ? B19 ? B19′ transformation and a single-stage deformation due to the B2 ? B19′ transformation, respectively. The martensitic transformation start temperature (M _s) increased with increasing Cu content and then levelled off for more than 15 at% Cu, indicating a high Ms temperature of 345 K. Temperature hystereses were almost 15 K for all films with more than 10 at% Cu. The critical stress for slip increased with increasing Cu content and increased significantly for the Ti_48.5Ni₁₈Cu_33.5 film, whereas the maximum recoverable strain significantly decreased for the Ti_48.5Ni₁₈Cu_33.5 film. With decreasing annealing temperature, the critical stress for slip increased, but the M _s temperature decreased. It was found that films with 11.5 at% Cu or more, annealed at 873 K, showed a high martensitic transformation temperature and a high critical stress for slip.     

Optical Absorption in (Pb0.78Sn0.22)1–x In x Te

The spectral dependences of the absorption coefficient are investigated in (Pb_0.78Sn_0.22)_1–x In _x Te at T = 300 K, with the content of indium in the mix x = 0.001–0.050. Two additional-absorption lines exhibiting sharp red margins are found in the () spectra from all the specimens examined. It is shown that they are associated with the optical ionization of the sites, whose energy levels E ₀ and E ₁are located in the forbidden band. It is established that the energy parameters of the E ₀ and E ₁ bands (position of the maxima of the state density function and the half width) do not depend on x. It is demonstrated that the E ₀ band is accounted for by indium located in the sublattice sites. It is found out that the indium concentration in the sites differs from its content in the mix. No changes testifying to the hopping conduction via the impurity states of indium are found in the energy spectrum from (Pb_0.78Sn_0.22)_1–x In _x Te.     

Electro-optic effect in SrTiO3 and Sr1–x Ca x TiO3 (x = 0.014)

The results of the investigation of the quadratic electro-optic effect in Sr_1–x Ca _x TiO₃ with x = 0.014 (SCT) and in nominally pure SrTiO₃ (STO) at room temperature in applied direct-current (dc) and alternating-current (ac) electric fields have been presented. It has been shown that the quadratic (in polarization) electro-optic coefficients of STO and SCT crystals coincide within the accuracy of the determination (±5%). It has been found that, in nominally pure STO measured in a dc electric field, there is a relaxation of the electro-optic effect with a relaxation time τ ≈ 30 s due to the formation of a space charge in the sample. No similar effect in SCT has been observed. A possible mechanism for the formation of a space charge in STO and SCT has been discussed.     

Ga_(1–x)Cr_xSb(x=0.25,0.50,0.75)磁学和光学性质的第一性原理研究

随着高性能电子器件需求的日益增加,自旋电子学材料在材料研究和电子元件中具有重要地位,因为自旋电子学器件相比于传统半导体电子元件具有非易失性,低功耗和高集成度的优点.本文研究了Cr离子注入GaSb的电子性质、磁学和光学性质,采用基于密度泛函理论框架下的缀加投影平面波方法,利用广义梯度近似下电子交换关联泛函,考虑了Heyd-Scuseria-Ernzerhof(HSE06)杂化泛函计算进行电子能带带隙修正,首先对不同浓度Cr离子注入下的闪锌矿结构半导体GaSb形成的Ga_(1-x)Cr_xb(x=0.25,0.50,0.75)进行结构优化,计算了无磁、铁磁及反铁磁的基态能量,对比发现它们的基态均为铁磁态.对电子能带结构图分析发现,它们自旋向上的电子能带穿过费米面,而自旋向下的电子能带存在直接带隙,呈现铁磁半金属性质.同时在平衡晶格常数下具有整数倍玻尔磁矩,并在一定晶格变化范围内保持磁矩不变.同时发现它们在红外波段具有良好的吸收能力,这使得Ga_(1-x)Cr_xSb在自旋电子学器件和红外光电器件中拥有潜在的应用前景.     

Temperature-dependent sound velocities,attenuation and elastic moduli anomalies in Pr1− x Sr x MnO3 perovskite manganite materials at 0.28 ≤ X ≤ 0.41

Pr_{1? x} Sr _x MnO₃ perovskite manganite materials with different compositions of x (x?=?0.28, 0.33, 0.35, 0.38 and 0.41) have been prepared using solid-state reaction technique. The ultrasonic longitudinal and shear velocities and longitudinal attenuation have been measured employing through transmission method operated at a fundamental frequency of 5?MHz over a wide range of temperatures. In all the compositions, the temperature-dependent sound velocities, attenuation and elastic constants show interesting anomalies at Curie temperature (T _C) and Neel temperature (T _N). The observed anomalies at T _C and T _N have been discussed in terms of phase transition, strength of linear magnetostriction effect and competition between paramagnetism and ferromagnetism.