Atomic and electronic structure of cesium lead triiodide surfaces

四方相甲基铵铅碘的表面重构

Surface reconstruction of tetragonal methylammonium lead triiodide

本文通过第一性原理计算研究四方相MAPbI3（001）表面的原子与电子结构，发现MAI终止面更稳定，且添加或去除非极性MAI和PbI2单元的重构最稳定，重构表面未在带隙内引入新态。

Nonreciprocal Second-Harmonic Generation in Few-Layer Chromium Triiodide

It is of fundamental importance but challenging to simultaneously identify atomic and magnetic configurations of two-dimensional van der Waals materials. In this work, we show that the nonreciprocal second-harmonic generation (SHG) can be a powerful tool to answer this challenge. Despite the preserved lattice inversion symmetry, the interlayer antiferromagnetic order and spin-orbit coupling generate enhanced SHG in PT-symmetric bilayer chromium triiodide (CrI3). Importantly, the in-plane polarization-resolved SHG is sensitive to subtly different interlayer structures that cannot be told by lin…

Ag（111）表面铯超晶格的扫描隧道显微镜和动力学蒙特卡罗研究

Scanning tunneling microscopy and kinetic Monte Carlo investigation of Cesium superlattices on Ag(111)

用低温扫描隧道显微镜对铯在Ag（111）表面的吸附结构进行了表征。在低覆盖率下，个别Cs原子的原子分辨率偶尔会在梯田上的六边形有序吸附物膜的区域中受到抑制。靠近台阶边缘的Cs原子沿台阶边缘方向呈现为细长的突起。在较高的覆盖率，原子分辨六方晶格的Cs超结构观察。动力学蒙特卡罗模拟模型观察到的吸附质结构的定性水平。

Optical and structural properties of CsI thin film photocathode

In the present work performance of cesium iodide thin film photocathode is studied in detail. The optical absorbance of cesium iodide thin films have been analyzed in the spectral range of 190 nm to 900 nm. The optical band gap energy of 500 nm thick cesium iodide film is calculated using Tauc plot from absorbance data. Refractive index is estimated from envelope plot of transmittance data using Swanepoel's method. Absolute quantum efficiency measurement has been carried out in the wavelength range of 150 nm to 200 nm. Crystallographic nature and surface morphology are investigated by X-ray di…

FLiBe中铯的团簇化与氟铍酸盐网络的破坏：全散射与分子动力学研究

Cesium Clustering and Fluoroberyllate Network Disruption in FLiBe: A Total Scattering and Molecular Dynamics Study

本研究结合全散射实验与分子动力学模拟，探究FLiBe中5mol% CsF的结构效应，明确Cs团簇及对氟铍酸盐网络的影响，为相关原子模型提供实验基准。