Insulator–metal transition in Mn-doped NaNbO3 induced by chemical and thermal treatment

The transition between insulator and metal conductor states, induced by oxygen non-stoichiometry, was studied for NaNbO₃ : Mn crystals. Conditions for an optimal reduction were determined on the basis of TGA tests. The temperature dependencies of the resistance measured on the macroscale showed that the transition from thermally activated to metallic features depends on the level of oxygen deficiency. The LC-AFM measurement exhibited non-homogeneous electric resistance on the nanoscale. We ascribed the local insulator–metal transition to changeover in the electronic state of the Nb ions occurring in filaments. The Mn dopant stabilised the induced oxygen non-stoichiometry and the metallic conduction down to room temperature.     

Topology and geometry of nematic braids

Topological analysis of disclinations in nematic liquid crystals is an interesting and diverse topic that goes from strict mathematical theorems to applications in elaborate systems found in experiments and numerical simulations. The theory of nematic disclinations is shown from both the geometric and topological perspectives. Entangled disclination line networks are analyzed based on their shape and the behavior of their cross section. Methods of differential geometry are applied to derive topological results from reduced geometric information. For nematic braids, systems of −1/2 disclination loops, created by inclusion of homeotropic colloidal particles, a formalism of rewiring is constructed, allowing comparison and construction of an entire set of different conformations. The disclination lines are described as ribbons and a new topological invariant, the self-linking number, is introduced. The analysis is generalized from a constant −1/2 profile to general profile variations, while retaining the geometric treatment. The workings of presented topological statements are demonstrated on simple models of entangled nematic colloids, estimating the margins of theoretical assumptions made in the formal derivations, and reviewing the behavior of the disclinations not only under topological, but also under free-energy driven constraints.     

紫外成像器件光电阴极封接焊料熔层缺陷对气密性的影响

为解决紫外成像器件光电阴极与管体封接漏气问题,对管体InSn合金熔化过程中出现的质量问题进行了深入分析,找出焊料熔层缺陷主要来源于对焊料除气不彻底和基底表面氧化及设备油污染。通过优化工艺参数,改进工艺质量和把化铟设备管体搁置焊料熔化改为浇铸熔化,使管体焊料熔化合格率达到了100%,光电阴极与管体封接气密性成品率达到98%。     

含双圆柱亚表面缺陷板条材料的表面温度分布

基于非傅里叶热传导方程,采用复变函数法和镜像法,研究了含双圆柱亚表面缺陷板条材料热波散射的温度场,并给出了热波散射温度场的解析解。分析了入射波波数、热扩散长度、缺陷的埋藏深度以及板条材料的厚度等对板条表面温度分布的影响。温度波由调制光束在材料表面激发,缺陷表面的边界条件为绝热。该分析方法和数值结果可为工程材料结构的传热分析、热波成像和材料内部缺陷评估,以及热物理反问题研究提供参考。     

Influence of Ga/(Ga + In) grading on deep‐defect states of Cu(In,Ga)Se2 solar cells

The benefits of gallium (Ga) grading on Cu(In,Ga)Se₂ (CIGS) solar cell performance are demonstrated by comparing with ungraded CIGS cells. Using drive‐level capacitance profiling (DLCP) and admittance spectroscopy (AS) analyses, we show the influence of Ga grading on the spatial variation of deep defects, free‐carrier densities in the CIGS absorber, and their impact on the cell's open‐circuit voltage V_oc. The parameter most constraining the cell's V_oc is found to be the deep‐defect density close to the space charge region (SCR). In ungraded devices, high deep‐defect concentrations (4.2 × 10¹⁶cm^–3) were observed near the SCR, offering a source for Shockley–Read–Hall recombination, reducing the cell's V_oc. In graded devices, the deep‐defect densities near the SCR decreased by one order of magnitude (2.5 × 10¹⁵ cm^–3) for back surface graded devices, and almost two orders of magnitude (8.6 × 10¹⁴ cm^–3) for double surface graded devices, enhancing the cell's V_oc. In compositionally graded devices, the free‐carrier density in the absorber's bulk decreased in tandem with the ratio of gallium to gallium plus indium ratio GGI = Ga/(Ga + In), increasing the activation energy, hindering the ionization of the defect states at room temperature and enhancing their role as recombination centers within the energy band. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Convergence properties of the supercell approach in the study of local defects in solids

The “supercell” scheme is applied to the study of local defects in MgO (Ca substitution, cation and anion vacancies) and bulk silicon (carbon substitution). The trend of the quantities of interest (defect formation energy, geometrical relaxation, charge distribution around the defect) as a function of the supercell size is explored; when neutral defects are considered, supercells containing 50 to 100 atoms are large enough to allow for most of the nuclear and electronic relaxation and to produce a negligible interaction between defects in different cells. These conclusions apply both to ionic and covalent host crystals. Present day ab initio quantum mechanical periodic computer programs can handle cells of such a size at a relatively low cost and high numerical accuracy.

When charged defects are considered (vacancies in MgO), the supercell scheme must be modified in order to avoid Coulomb divergencies, but the usually adopted correction, which consists in introducing a compensating uniform background of charge, generates spurious higher order electrostatic interactions, which are far from being negligible. The resulting defect formation energies show very slow, if any, convergence trends and “a posteriori” semiclassical corrections proposed in the literature do not represent a general solution to the problem. On the other hand, other properties, such as atom relaxation and charge distribution, show a much faster convergence than energy with respect to the cell size.     

掺铁铌酸锂晶体中光致散射的锂组分和温度依赖关系研究

研究了单掺铁铌酸锂晶体的光致散射行为随锂组分以及温度的变化关系.实验表明,随晶体组分的升高,光致散射得到了大幅抑制;不同组分晶体光致散射被完全抑制的温度不同.由此提出掺铁铌酸锂晶体在48.9 mol%-49.3 mol%范围内可能存在一临界锂组分,当晶体组分超过这一临界组分时,晶体光致散射被大幅抑制,而光致散射行为的温度依赖关系明显改变.     

Electronic transport of bilayer graphene with asymmetry line defects

In this paper,we study the quantum properties of a bilayer graphene with(asymmetry) line defects.The localized states are found around the line defects.Thus,the line defects on one certain layer of the bilayer graphene can lead to an electric transport channel.By adding a bias potential along the direction of the line defects,we calculate the electric conductivity of bilayer graphene with line defects using the Landauer-Biittiker theory,and show that the channel affects the electric conductivity remarkably by comparing the results with those in a perfect bilayer graphene.This one-dimensional line electric channel has the potential to be applied in nanotechnology engineering.     

Mn掺杂后三元黄铜矿结构半导体CuInTe2的缺陷特征与热电性能

三元黄铜矿结构(也称类金刚石结构)半导体是一类具有热电转换潜力的新型热电材料. 本次工作中采用电负性更小的Mn元素替换CuInTe₂黄铜矿结构半导体中的Cu元素, 设计制备贫Cu化合物Cu_1-xInMn_xTe₂. 研究表明, 当Mn含量较低时, Mn优先占位在In 位置产生受主缺陷Mn_In^-. 因此随着Mn含量的增大, 载流子浓度和电导率均得到改善. 但当Mn含量进一步增大后, Mn可同时占位在In位置和Cu位置, 除产生受主缺陷Mn_In^-外, 还能产生施主缺陷Mn_Cu⁺. 由于两类极性相反的缺陷之间的湮灭现象, 使得缺陷浓度及载流子浓度开始降低, 晶格结构畸变有变小趋势, 因此在高温下晶格热导率仅略有提高. 研究结果表明, 在某一特定的Mn含量(x=0.05)时, 材料具有最优的热电性能(ZT=0.84@810.0 K), 这一性能约是未掺杂CuInTe₂的2倍.