Structural, thermal, and electrical properties of (100?x) ZrO2 (x) Bi2O3 compound

Composition (100?x) ZrO₂ (x) Bi₂O₃ (x?=?15, 20, 25) is synthesized by solid-state reaction method to study the effect of Bi₂O₃ doping on ZrO₂. The as-prepared samples are characterized by various methods. The X-ray diffraction pattern of all these samples exhibits three phases, namely, m-ZrO₂, ??_III-Bi₂O₃, and ??-Bi₂O₃. The differential thermal analysis curves do not show any phase transition/decomposition, which clearly indicated the stabilization of ??-Bi₂O₃ phase. The conductivity changes in all the samples are discussed in terms of different phase formations and their volume fractions. The microstructural and energy dispersive analyses indicate the presence of different phases. A maximum conductivity at high temperature (800?°C) was observed for the x?=?25 composition, i.e., ???=?4.21?×?10^?2 S/cm.     

Spin-reorientation, ferroelectricity, and magnetodielectric effect in YFe(1-x)Mn(x)O3(0.1 ≤ x ≤ 0.40)

We report the observation of magnetoelectric and magnetodielectric effects at different temperatures in Mn-substituted yttrium orthoferrite, YFe(1-x)Mn(x)O(3)(0.1 ≤ x ≤ 0.40). Substitution of Mn in antiferromagnetic YFeO(3)(T(N) = 640 K) induces a first-order spin-reorientation transition at a temperature, T(SR), which increases with x whereas the Néel temperature (T(N)) decreases. While the magnetodielectric effect occurs at T(SR) and T(N), the ferroelectricity appears rather at low temperatures. The origin of magnetodielectric effect is attributed to spin-phonon coupling as evidenced from the temperature dependence of Raman phonon modes. The large magnetocapacitance (18% at 50 kOe) near T(SR) = 320 K and high ferroelectric transition temperature (～115 K) observed for x = 0.4 suggest routes to enhance magnetoelectric effect near room temperature for practical applications.     

Structural,electrical and magnetic properties of Zr–Mg cobalt ferrite

Spinel cobalt ferrite, CoFe_2−xM_xO₄ has been synthesized by substitution of the combination of metallic elements M=Zr–Mg by the microemulsion method using polyethylene glycol as a surfactant. Powder X-ray diffraction analysis reveals that the substitution results in shrinkage of the unit cell of cobalt ferrite due to higher binding energy of the synthesized samples. The energy-dispersive X-ray fluorescence analysis confirms the stoichiometric ratios of the elements present. The thermogravimetric analysis shows that the minimum temperature required for the synthesis of these substituted compounds is 700 °C. A two-point probe method was employed for the measurement of the electrical resistivity in a temperature range of 293±5 to 673±5 K. It appears that there is a decrease in the number of Fe²⁺/Fe³⁺ pairs at the octahedral sites due to the substitution and corresponding migration of some of the Fe³⁺ ions to tetrahedral sites, consequently increasing the resistivity and the activation energy of hopping of electron at the octahedral sites. The susceptibility data also suggest migration of Fe³⁺ to tetrahedral site in the initial stage, which results in an increase in A–B interactions leading to large increase in the blocking temperature (T_B) as observed in samples having dopant content x=0.1.     

Structural and electronic properties of InNxP1-x alloy in full range (0 ≤ x ≤1)

We have performed first-principles method to investigate structural and electronic properties of InN_xP_1?x ternary semiconductor alloy in full range (0 ≤ x ≤ 1) using density functional theory. We have used modified Becke–Johnson potential to obtain accurate band gap results. From the electronic band structure calculation we have found that InN_xP_1?x become metal between 47 and 80% of nitrogen concentration. Additional to our band gap calculations, we have also used the band anticrossing model. The band anticrossing model supplies a simple, analytical expression to calculate the physical properties, such as the electronic and optical properties, of III-N_xV_1?x alloys. The knowledge of the electron density of states is required to understand and clarify some properties of materials such as the band structures, bonding character and dielectric function. In order to have a deeper understanding of these properties of the studied materials, the total and partial density of states has been calculated. Finally, we have calculated the total bowing parameter b of studied alloys, together with three contributions b_VD, b_CE, and b_SR due to volume deformation, different atomic electron negativities and structural relaxation, respectively.     

Effects of Ni doping on the structural properties and collapse of magnetic ordering in NdFe_(1-x)Ni_xO_3(0.1 ≤x≤ 0.7) orthoferrites

Nd Fe_(1-x)Ni_xO_3(0.1 ≤ x ≤ 0.7) orthoferrites are synthesized by solid state reaction method, and the structural properties of these materials are investigated by employing x-ray diffraction(XRD), scanning electron microscopy(SEM) and M o¨ssbauer spectroscopy. The orthorhombic structure is observed in all systems; however, with the increase in Ni doping,the increase in tolerance factor and the decrease in the cell volume are observed. Orthorhombic distortion decreases with Ni content increasing up to 50%, while above 50% Ni doping it increases. SEM examination indicates the increases in grain size and intermixing of grains with increase in Ni concentration. Comparison between bulk and theoretical densities shows that in each of all samples porosity is less than 2%. M?ssbauer spectroscopic investigations are performed to explain local structure, Fe oxidation states and collapse of the magnetic ordering. In these samples the Fe oxidation state remains+3 and there is no considerable increase in hole states observed; however due to mismatch of the ionic radii between Fe~(3+) and Ni~(3+), octahedral distortions, sagging and distribution of hyperfine parameters increase with increase in Ni concentration. The major factors behind the collapse of magnetic ordering in the Ni-doped systems are the weakening of the super-exchange interactions, decrease in the Neel temperature, increase in spin–spin relaxation frequency and high spin to low spin transition.     

Structural, electrical, and thermoelectrical properties of (Bi1 − x Sb x )2Se3 alloys prepared by a conventional melting technique

Polycrystalline solid solutions of (Bi_{1 ? x} Sb _x )₂Se₃ (x = 0, 0.025, 0.050, 0.075, 0.100) were prepared using a facile method based on the conventional melting technique followed by annealing process. X-ray analysis and Raman spectroscopical measurements revealed formation of Bi₂Se₃ in single phase. The electrical and thermoelectric properties have been studied on the bulk samples in the temperature range 100–420 K. The electrical conductivity measurements show that the activation energy and room-temperature electrical conductivity dependences on the Sb content respectively exhibit minimum and maximum values at x = 0.05. The thermoelectric power exhibited a maximum value near the room temperature suggesting promising materials for room-temperature applications. The highest power factor value was found to be 13.53 μW K^?2 cm^?1 and recorded for the x = 0.05 compound.     

Structural,morphologic and optical characterization of In(2−x)Al x S3

Aluminum-doped indium sulfide thin films are deposited on glass by spray pyrolysis technique. The structure and the surface morphology of these films were characterized by X-ray diffraction and atomic force microscopy. The effects of aluminum ratio z and substrate temperature T _s, on the film structure and grain size are discussed. The influence of aluminum ratio on surface morphology is revealed by scanning electron microscope. Besides, energy dispersive spectrometry technique is used to compare atomic aluminum concentration in the film with aluminum ratio z in spray solution. Optical properties are studied by a spectrophotometer in the wavelength range 350–850 nm, at room temperature. Optical transmission and grain size are found to be maximal for z = 1.8 %. Moreover, band-gap energy is found to increase with aluminum ratio.     

High-temperature thermoelectric characteristics of B-site substituted Yb0.1Ca0.9Mn1−x Nb x O3 system (0≤x≤0.1)

The thermoelectric performance of Yb_0.1Ca_0.9MnO₃ doped with Nb⁵⁺ at B-site is investigated in this paper. It is found that there is a phase transition from O-type to O*-type orthorhombic structure with increasing of Nb doping content, which indicates that the structure distortion becomes more seriously. Since the electron–phonon interaction can be enhanced by the structure distortion, the small polaron formation is promoted in Yb_0.1Ca_0.9Mn_1?x Nb _x O₃ with increasing Nb content. In the whole measured temperature range, the electrical conductivity can be fitted very well by the adiabatic small polaron hopping model. The activated energy E _α is ascending with increasing Nb content. The temperature dependence of Seebeck coefficient S of Yb_0.1Ca_0.9Mn_1?x Nb _x O₃ shows that the S is basically inversive to the charge carrier concentration. S(T) can be fitted well by the Cutler and Mott model, which indicates that the density of state around the Fermi level is strongly affected by Nb-doping at B-site. It is contrary to those of CaMnO₃ and RE_0.1Ca_0.9MnO₃, when Nb content x>0.05, the |S| and σ show a same tendency of the temperature dependence.     

Structural characterization and magnetic properties of NiMg3x/2Cr0.9Fe1.1 − x O4

Magnesium-substituted nickel–chrome ferrites have been studied using X-ray diffraction and Mössbauer spectroscopy. A single cubic spinel phase was obtained in the range 0.0?≤?x?≤?0.4. The lattice parameter was found to decrease with the increase of Mg concentration. The Mössbauer spectra measured at 295 and 78 K of all samples showed magnetic patterns interpreted in term of the tetrahedral and octahedral sites occupancies. The magnetic hyperfine field of both sites decrease with the increase of the Mg concentration. The magnetic properties as a function of the Mg concentration have been explained on the basis of the cation distribution among the two crystallographic sites driven from the Mössbauer measurements.     

Structural and magnetic characterization of the complete delafossite solid solution (CuAlO?)?-x(CuCrO?)x

We have prepared the complete delafossite solid solution series between diamagnetic CuAlO(2) and the t(2g)(3)frustrated antiferromagnet CuCrO(2). The evolution with composition x in CuAl(1-x)Cr(x)O(2) of the crystal structure and magnetic properties has been studied and is reported here. The room-temperature unit cell parameters follow the Végard law and increase with x as expected. The μ(eff) is equal to the Cr(3+) spin-only S = 3/2 value throughout the entire solid solution. Θ(CW) is negative, indicating that the dominant interactions are antiferromagnetic, and its magnitude increases with Cr substitution. For dilute Cr compositions, the nearest-neighbor exchange coupling constant J(BB) was estimated by mean-field theory to be 3.0 meV. Despite the sizable Θ(CW), long-range antiferromagnetic order does not develop until x is almost 1, and is preceded by glassy behavior. The data presented here, and those on dilute Al substitution from Okuda et al, suggest that the reduction in magnetic frustration due to the presence of non-magnetic Al does not have as dominant an effect on magnetism as chemical disorder and dilution of the magnetic exchange. For all samples, the 5 K isothermal magnetization does not saturate in fields up to 5 T and minimal hysteresis is observed. The presence of antiferromagnetic interactions is clearly evident in the sub-Brillouin behavior with a reduced magnetization per Cr atom. An inspection of the scaled Curie plot reveals that significant short-range antiferromagnetic interactions occur in CuCrO(2) above its Néel temperature, consistent with its magnetic frustration. Uncompensated short-range behavior is present in the Al-substituted samples and is likely a result of chemical disorder.     

Effect of Nd doping on the magnetic properties of charge-ordered Bi0.6−x Nd x Ca0.4MnO3 (0.0≤x≤0.6) perovskite manganites

We have studied structure, magnetic and transport properties of polycrystalline Bi_0.6?x Nd _x Ca_0.4MnO₃ (x=0.0, 0.1, 0.2, 0.3, 0.4, 0.5 and 0.6). Substitution of Nd at Bi sites induces a strong interplay between the magnetic and charge ordering. The charge-ordering temperature (T _CO) decreases with increasing x. Further, the antiferromagnetic ordering temperature (T _N) increases sharply at both extremes and remains nearly constant for x=0.2–0.4. At T<T _N a transition to a metamagnetic glass-like state is also seen. Nd doping also leads to enhancement in the magnetic moment and a concomitant decrease in resistivity up to x=0.3 and then an increase in resistivity up to x=0.5. Furthermore, Nd doping promotes an antiferromagnetic to ferromagnetic type fluctuation in the materials at room temperature, as evidenced by the change in the value of the paramagnetic Curie temperature. We find that the local lattice distortion induced by the size mismatch between the A-site cations and the 6s² character of Bi³⁺ lone pair electrons explains the observed peculiarity in magnetic and transport properties of Nd-doped Bi_0.6Ca_0.4MnO₃.     

Structural characterization,magnetic properties and magnetocaloric effects of La0.75Sr0.25Mn1–x Cr x O3 (x = 0.15, 0.20, and 0.25)

The effect of Cr doping on the structural, magnetic and magnetocaloric properties of perovskite manganites La_0.75Sr_0.25Mn_1–x Cr _x O₃ (x = 0.15, 0.20, and 0.25) has been investigated. Crystalline structure and magnetic properties are investigated by using X-ray powder diffraction and magnetization measurements, respectively. All samples show a single phase and are found to crystallize in the distorted rhombohedral system with \( R\overline{3} \,c \) space group. A monotonous change of Curie temperature (T _C), from 314 to 253 K, is observed when content doping increases. Substantial magnetic entropy change reaching 4.20 J/kg K is revealed. Relative cooling power was estimated as well. It was found to reach 289, 323, and 386 J/kg for x = 0.15, 0.20, and 0.25, respectively. Field dependence of the magnetic entropy change showing the power law dependence \( \Delta S_{\rm M} \propto \,\,\left( {\mu_{ 0} \rm H} \right)^{n} \) is also analyzed and discussed.     

Effect of Nd on the Superconductivity of Nd1+x Ba2-x Cu3O y with 0.1 ≤ x ≤ 0.35

The effect of Nd substitution at the Ba sites has been studied in Nd_1+x Ba_2-x Cu₃O _y system for 0.1 x 0.35. Orthorhombic to tetragonal structural phase transition occurs at about x = 0.17. With the increase of Nd, the T _c value decreases and T increases, where T is the difference between the onset and critical temperatures and indicates the sharpness of the transition. These changes are explained by ac-susceptibility measurements on Nd_1.1Ba_1.9Cu₃O_7.12 at 0.10 Oe. The susceptibility curves show the presence of about four phases, which are not detectable by X-ray diffraction technique.     

Correlation of the magnetic and transport properties with polymorphic transitions in bismuth pyrostannate Bi2(Sn1 − x Cr x )2O7

Physics of the Solid State - The correlation of the electrical, magnetic, and structural properties of Bi2(Sn1 − x Cr x )2O7 solid solutions has been investigated for two compositions with x...     

Structural,magnetic, and physical properties of La(1–x)MnO3±δ nano-manganite

A detailed structural, magnetic and physics properties of La_1?xMnO_3±δ (LMO) nanomanganites were investigated to find out the role of cationic vacancies (La vacancy with Mn³⁺/Mn⁴⁺) in grain size modulation. Crystal structure and phase analysis of all samples were carried out by Rietveld refinement of high-resolution XRD and neutron diffraction data. We report here, the oxygen content in studied LMO compound decreases with increase in La vacancies in parent site and a parasitic Mn₃O₄ phase has been evolved in the range of 0.9 ≥ La/Mn ≥ 0.7. Para to ferro magnetic transition temperature (T_C) of all nanometric samples (La/Mn < 0.9) was found at high temperature side (≥260 K) whereas, the same for bulk one (La/Mn ≥ 0.9) was around 160 K. The enhancement of T_C (~70 K) with size reduction is attributed to broadening of bandwidth due to compaction of MnO₆ octahedra in system unit cell. In bulk sample, a secondary cluster/spin glassy phase is found below 50 K, whereas the glassy phase has been suppressed in nanoscale. Field-dependent magneto-resistance measurements are also carried out for all samples at different temperatures to get a profound insight of magneto-transport dynamics of the present system.     

Features of magnetic properties of La x MnO3 + δ (0.815 ≤ x ≤ 1.0)

Magnetic and resonance studies of the system of polycrystalline samples of self-doped manganites La _x MnO_{3 + δ} (x = 0.815, 0.90, 0.94, 0.97, and 1.0) have been performed in a temperature range of 77–300 K. According to ⁵⁵Mn NMR data, all samples contain a ferromagnetic phase at 77 K. As the defect density increases (x changes from 1.0 to 0.815), samples become more magnetically ordered. In this case, the ferromagnetic state of the system gradually changes from a mixed state in which both ferromagnetic insulating (basic) and ferromagnetic metal (for x = 0.97 and 1.0) phases coexist to only the ferromagnetic metal state (for x = 0.815 and 0.90). It has been shown that both ferromagnetic metal and ferromagnetic insulating phases are inhomogeneous, and either phase consists of two phases with different dynamics of nuclear spins and different Curie temperatures. The diagram of the magnetic phase state of the La _x MnO_{3 + δ} system (x = 0.815, 0.90, 0.94, 0.97, 1.0) has been constructed for a temperature range of 120–240 K and Mn⁴⁺ contents of 12–30%.     

粉末晶体(ZrO2)x(Bi2O3)1-x(x=1.0, 0.97) 晶体结构分析

为了确定ZrO2和(ZrO2)0.97(Bi2O3)0.03的晶体结构和原子热振动各向同性温度因子B,对该粉末晶体进行X射线衍射实验,建立了晶体结构模型,进行晶体结构分析。首先,采用共沉淀法和高温固相烧结法制备了纳米氧化锆ZrO2和(ZrO2)0.97(Bi2O3)0.03粉末晶体,接着,使用X射线测试仪对两种样品进行了衍射实验（XRD）,利用Rietveld 精修方法的 RIETAN-2000程序对所得实验结果进行了晶体结构分析,获得了晶体结构参量和原子热振动各向同性温度因子B。通过Maximum Entropy Method（MEM）解析得到了粉末晶体(ZrO2)x(Bi2O3)1-x(x=1.0,0.97)的等高电子密度分布可视化图谱。结果表明,(ZrO2)0.97(Bi2O3)0.03的晶胞体积比ZrO2的晶胞体积大分别为140.6850 Å3和140.5637Å3;ZrO2晶体的原子热振动各向同性温度因子B(Zr)、BO(1)、BO(2)和 B（Bi）分别为0.690、0.269、 0.178 和 0 Å2,(ZrO2)0.97(Bi2O3)0.03晶体的分别为0.460 、0.583 、0.121 和0.581 Å2。 确定了(ZrO2)0.97(Bi2O3)0.03的晶体结构属于单斜晶系,实现了等高电子密度分布三维（3D）和二维（2D）的可视化,进一步确定了晶体结构和原子位置。     

Structural studies and impedance spectroscopy of sol–gel derived Bi0.9Pr0.1FeO3 nanoceramics

Nano-crystalline Bi_0.9Pr_0.1FeO₃ (BPFO) ceramics have been synthesized by a sol–gel technique. The Rietveld refinement of the room temperature powder X-ray diffraction pattern confirms that the BPFO crystallizes in the rhombohedral R3c space group symmetry. SEM image of the sintered BPFO ceramic shows particles with same shape and fine grain morphology with the average grain size of 53±12 nm. The electrical properties of the ceramic are analysed by impedance spectroscopy. Grain and grain-boundary effect is observed in the material at lower temperature range which has been confirmed by electric modulus formalism. The ac conductivity spectrum obeys the Johnscher's power law. The activation energy calculated from dc conductivity is found to be 0.373 eV, which represents the conduction of small polaron over barrier between two sites of the lattice.