光热偏转技术测量Sr_(2-x)Sm_xFeMoO_6材料的热扩散率

采用固体烧结法制备了Sr2-xSmxFeMoO6(x=0,0.03,0.05,0.08,0.10,0.13,0.15,0.20)多晶结构样品,用X射线衍射对材料的结构进行了检测。通过光热偏转技术方法对该材料的热扩散率进行了研究,给出了掺杂比例与材料热扩散率的关系曲线,结果发现Sr2FeMoO6样品随着参杂Sm浓度的增加,结构发生变化的同时,样品的热扩散率也随着波动变化。这与文献[1]中给出的结论有明显不同,从声子、电子、自旋及其相互作用角度揭示了与文献[1]不同的根本原因;并且从x射线和热扩散率两个角度给出了样品Sr2-xSmxFeMoO6结构转变的参杂比例在10—13%的范围,说明光热偏转技术方法是研究参杂镧系元素的双钙钛矿结构和电子参杂效应的可行有效方法。     

La2/3Ca1/3MnO3样品的磁和电子输运性质研究

实验研究了La2/3CamMnO3样品零磁场下的电阻率和低磁场下的磁化强度随温度的变化行为．结果表明，除了居里温度(Tc)外还存在另一特征温度Tonset，高于Tonset的样品为典型的顺磁绝缘体，而低于Tc的样品为典型的铁磁金属，但在Lonset和Tc之间，样品的磁化率大大偏离居里一外斯定律，同时其导电特性显示出明显的反常．对观察到的不寻常导电特性，根据铁磁金属集团在顺磁绝缘体背景上随机分布的假设，进行了分析与探讨。     

Waterproof Light-Emitting Metal Halide Perovskite–Polymer Composite Microparticles Prepared via Microfluidic Device

Waterproof light-emitting perovskite–polymer composite microparticles are synthesized by a continuous one-step microfluidic reactor, which enables in situ production of metal halide perovskite nanoparticles (MHP-NPs) by the ligand-assisted reprecipitation process (LARP) and the encapsulation of MHP-NPs by UV cross-linking polymerization in the microfluidic channel. Successful encapsulation of MHP-NPs in polymer microparticles is attributed to the co-dispersion of an LARP solution and UV polymerizable solution in an aqueous continuous phase within the microfluidic channel, in which N,N-dimethylformamide, in co-dispersion droplets, is continuously extracted to the aqueous medium upon UV polymerization. MHP-NPs–polymer composite microparticles show enhanced stability against air and moisture.     

Structural and electrical characteristics of rare earth simple perovskite oxide La0.57Nd0.1Pb0.33Mn0.8Ti0.2O3

Polycrystalline La_0.57Nd_0.1Pb_0.33Mn_0.8Ti_0.2O₃ (LNPMT) is prepared by the solid-state reaction technique. The formation of single phase material was confirmed by X-ray diffraction studies, and it was found to be a rhombohedral phase at room temperature. The impedance plane plot shows semicircle arcs at different temperatures and an electrical equivalent circuit has been proposed to explain the impedance results. The frequency dependent conductivity spectra follow the universal power law. The activation energy deduced from analysis of the imaginary part of electric modulus and imaginary impedance is found to be ∼75 meV. Such a value of activation energy indicates that the conduction mechanism for the sample is due to electron hopping. The imaginary part of the electric modulus suggests that the relaxation describes the same mechanism at various temperatures.     

Facetting and (n × 1) reconstructions of SrTiO3(1 1 0) surfaces

(n × 1) reconstructions and facetting of the (1 1 0) polar surface of SrTiO₃ are studied by means of a combination of shell model and density functional calculations. The polarity compensation can be achieved through the formation of {1 0 0} nano-facets, which play a crucial role in the reconstruction process. The behaviors of various possible terminations (Sr, Ti, and O) are analyzed, as well as their atomic structure and energetics. Their stability in different chemical environments is discussed, with respect to previous formulations and experimental results. The Sr-terminated surface tends to expose large facets, while the TiO and O terminations are marginally stabilized or even destabilized by (n × 1) reconstructions, respectively. Trend to facetting results from a subtle competition between the thermodynamic stability of the ideal non stoichiometric (n × 1) surfaces, and huge atomic relaxations that contribute to the lowering of the surface energy differently for each termination.     

Electronic structure and magnetic properties of rare-earth perovskite gallates from first principles

The density functional calculation is performed for centrosymmetric(La–Pm) GaO_3 rare earth gallates, using a full potential linear augmented plane wave method with the LSDA and LSDA+U exchange correlation to treat highly correlated electrons due to the very localized 4f orbitals of rare earth elements, and explore the influence of U = 0.478 Ry on the magnetic phase stability and the densities of states. LSDA+U calculation shows that the ferromagnetic(FM) state of RGaO_3 is energetically more favorable than the anti-ferromagnetic(AFM) one, except for LaGaO_3 where the NM state is the lowest in energy. The energy band gaps of RGaO_3 are found to be in the range of 3.8–4.0 eV, indicating the semiconductor character with a large gap.     

Electronic and magnetic properties of double perovskites (, Ca)

We have studied the magnetic and electronic properties of double perovskites A₂FeReO₆ with A=Ba and Ca using ab initio methods based on density functional theory. It has been shown that when changing Ba by Ca the system undergoes a metal–insulator transition coincidentally to a structural phase transition, even if conduction band fillings are not significantly changed. Our results suggest that only considering a quite large correlation term on the Re site could explain an insulating character for Ca₂FeReO₆. Instead, we found that small correlations could induce a bad metallic behavior as suggested in more recent experiments.     

Microwave losses in ABO3 type perovskites

Using Green’s function method, microwave lossess were theoretically calculated for BaTiO₃, SrTiO₃ and KTaO₃ ferroelectric perovskites. In microwave range, an increase in frequency is followed by an increase in the dielectric loss. In the paraelectric phase, the dielectric loss decreases with increasing temperature showing the Curie-Weiss behaviour of the tangent loss.