Macroscopic and Microscopic Structures of Cesium Lead Iodide Perovskite from Atomistic Simulations

A first‐principles‐based effective Hamiltonian is developed and employed to investigate finite‐temperature structural properties of a prototype of perovskite halides, that is CsPbI₃. Such simulations, when using first‐principles‐extracted coefficients, successfully reproduce the existence of an orthorhombic Pnma state and its iodine octahedral tilting angles around room temperature. However, they also yield a direct transformation from Pnma to cubic $Pm\overline{3}m$ upon heating, unlike measurements that reported the occurrence of an intermediate long‐range‐tilted tetragonal P4/mbm phase in‐between the orthorhombic and cubic phases. Such disagreement, which may cast some doubts about the extent to which first‐principle methods can be trusted to mimic hybrid perovskites, can be resolved by “only” changing one short‐range tilting parameter in the whole set of effective Hamiltonian coefficients. In such a case, some reasonable values of this specific parameter result in the predictions that i) the intermediate P4/mbm state originates from fluctuations over many different tilted states; and ii) the cubic $Pm\overline{3}m$ phase is highly locally distorted and develops strong transverse antiphase correlation between first‐nearest neighbor iodine octahedral tiltings, before undergoing a phase transition to P4/mbm under cooling.     

"十一五"规划国家级重点通信项目

《信息产业科技发展“十一五”规划》提出设立部分重大项目,力争实现重点突破,形成一批具有自主知识产权的核心技术和创新产品,打造较为完整的产业链,形成世界一流的产业群。这其中,与通信相关的重点项目主要有:宽带无线移动通信、下一代网络、家庭网络、智能终端、数字电视等。本部分将对我国在以上领域的现状、项目的具体内容和目标、实现这些目标的具体计划以及相关厂商在各领域的努力和成绩进行介绍。     

A new molecular rectifier device and some research in its processing

Organic materials of D-π-A type MR-X (MR-1: p-dimethylaminophenylethenetrica-rbonitrile and MR-2: p-diphenylaminophenylethene tricarbonitrile) were designed and synthesized. The device with a sandwich structure shows good rectificative phenomena. The highest rectification ratio 10000 was achieved in device Cu/MR-1/Ag, and about 100 in other device M/MR-X/M (M: Cu, Ag). It has been found that rectificative phenomena exist only in the atmosphere-liquid interface region by means of liquid adsorption, and electric field could help form the oriented molecular film. __________ Translated from Journal of Fudan University (Natural Science), 2005, 44(4) (in Chinese)     

一种多晶硅高温压力传感器

制作压力传感器时，在二氧化硅层上淀积多晶硅膜，既可利用优良的机械特性，又可保证压敏电阻与衬底间具有良好的绝缘性，由此可大大提高器件的温度特性。介绍了一种多晶硅压力传感器的原理和设计。实验结果表明，这类传感器具有灵敏度好，精度高等特点，电路工作范围为０－２５０℃，且具有良好的温度稳定性。     

What Is Its Real Existing Form?——Theoretical and Experimental Studies on 2-Mercaptobenzothiazole

1 INTRODUCTION The study of heterocyclic molecules with aroma- tic rings and their absorptions on metals is of con- siderable importance from both theoretical and te- chnological points of view. These molecules are in- teresting because of their applications as corrosion inhibitors and flotation collectors, and their abilities to form self-assembly layers[1]. 2-Mercaptobenzo- thiazole (C7H5NS2, in the following MBT) is an important heterocyclic molecule, which can be used as corrosion …     

Crystallographic report: catena‐Aqua(2,2′‐bipyrimidine)lithium(I) perchlorate

A lithium(I) coordination polymer has been formed from LiClO₄ and the 2,2′‐bipyrimidine (bpym) ligand in which each square pyramidal lithium(I) atom is coordinated in the basal plane by four nitrogen donor atoms derived from two bpym ligands and one water molecule at the apical position. These are connected into a layer structure via hydrogen‐bonding interactions involving the perchlorate anions. Copyright © 2004 John Wiley & Sons, Ltd.     

Tunable circular patch antennas

A method to control the resonant or operating frequencies of circular patch antennas has been investigated experimentally and theoretically. It consists of the placement of passive metallic or tuning posts at approximate locations within the input region of the antenna. Comparison of measured and analytical results seems to establish the validity of a theoretical model proposed to determine the input performance of such circular patch antennas.     

从一道运动学题目的求解谈坐标系选取的重要性

通过比较一道典型运动学题目的近似求解方法与精确求解方法，探讨坐标系选取对研究曲线运动的重要性．     

绿色荧光粉YAGG∶Tb,Gd用于FED的尝试

FED器件的发展迫切需要具有化学和热稳定性 ,高亮度 ,长寿命的新型荧光材料。本文合成了Gd3 +离子共掺杂的YAGG∶Tb获得了YAGG∶Tb ,Gd ,并将其用于 0～ 30 0 0V低压范围 ,对其在不同电压和电流密度下的发光特性进行了测试。结果表明 ,该种材料特性优于ZnO∶Zn并且不存在电压与电流饱和     

旋波媒质基本参数的一种测试方法

本文提出了直接利用旋波材料板的Ｓ参数获得其基本参数的方法。通过自由空间测量旋波材料板的反射场和透射场，可以反演得到媒质的复介电常数、复磁导率、旋波量以及透射场的轴比和旋转角，测试程序简单，结果精度高。