ELECTRONIC-STRUCTURE AND OPTICAL-PROPERTIES OF LIB3O5

被引:51
作者
XU, YN
CHING, WY
机构
[1] Department of Physics, University of Missouri, Kansas City, Kansas City
来源
PHYSICAL REVIEW B | 1990年 / 41卷 / 08期
关键词
D O I
10.1103/PhysRevB.41.5471
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The band structure and the interband optical conductivity of a LiB3O5 crystal with excellent nonlinear optical properties are studied by means of a first-principles method. The electronic structure is characterized by highly localized bands with a direct gap of 7.37 eV at and a very low static dielectric constant of 2.7. The optical absorption curve shows several prominent structures but with very small directional anisotropy. The calculated frequency-dependent refractive index is in good agreement with experimental data. © 1990 The American Physical Society.
引用
收藏
页码:5471 / 5474
页数:4
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