应变对单层砷烯结构拉曼散射的影响  

Raman Scattering Modification in Monolayer Arsenene Controlled by Strain Engineering

作　　者：赵一程 郭俊宏[1] 胡芳仁[1] ZHAO Yicheng;GUO Junhong;HU Fangren(School of Optoelectronic Engineering and Grüenberg Research Centre,Nanjing University of Posts and Telecommunicates,Nanjing,Jiangsu 210023,China)

机构地区：[1]南京邮电大学光电工程与格林堡研究中心,江苏南京210023

出　　处：《计算物理》2020年第3期365-370,共6页Chinese Journal of Computational Physics

基　　金：国家自然科学基金(61274127,61574080,61505085)资助项目。

摘　　要：应用密度泛函理论对应变下的单层砷烯拉曼光谱的变化进行研究.由于材料的结构对称性较低,由外部应力诱发的形变不仅可以造成拉曼模式分裂,还可以引发拉曼模式偏移.计算表明:拉曼峰位的变化与应变正相关,建立了应变与峰位移动间的定量关系,为在实验中识别砷烯结构的应变提供依据.Raman spectra of monolayer arsenene with external strain are determined with density functional theory.Due to lower structural symmetry,deformation induced by external strain regulates Raman mode splitting and leads to Raman mode shifts as well.Our calculations suggest that the structural deformation induced by external strain can be clearly identified by Raman scattering.

关 键 词：拉曼光谱 第一性原理计算 应变 砷烯结构 二维材料 

分 类 号：O48[理学—固体物理]