First-principles calculations of band structures and dynamic optical properties of CsCdBr3 and RbCdl3•H2O crystals -: art. no. 013516

被引：17

作者：

Huang, SP ^{[1
]}

Cheng, WD ^{[1
]}

Wu, DS ^{[1
]}

Li, XD ^{[1
]}

Lan, YZ ^{[1
]}

Li, FF ^{[1
]}

Shen, J ^{[1
]}

Zhang, H ^{[1
]}

Gong, YJ ^{[1
]}

机构：

[1] Chinese Acad Sci, Fujian Inst Res Struct Matter, Grad Sch, State Key Lab Struct Chem, Fujian 350002, Peoples R China

来源：

JOURNAL OF APPLIED PHYSICS | 2006年 / 99卷 / 01期

基金：

中国国家自然科学基金;

关键词：

D O I：

10.1063/1.2159086

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We report the band structures as well as frequency-dependent (dynamic) linear and nonlinear optical properties of CsCdBr3 and RbCdI3 center dot H2O crystals calculated within density functional theory with a nonlocal gradient correction, including the dielectric function, linear and nonlinear refractive indices, frequency doubling, and self-focusing of light. The electronic origin of the optical susceptibilities is described and the critical power of light self-focusing is estimated for these two crystals.

引用

页数：4

共 18 条

[1]

*ACC INC, MAT STUD CASTEP VERS

[2]

Boyd R. W, 1992, NONLINEAR OPTICS, P21

[3] SELF-ENERGY OPERATORS AND EXCHANGE-CORRELATION POTENTIALS IN SEMICONDUCTORS [J].