期刊
JOURNAL OF PHYSICS-CONDENSED MATTER
卷 24, 期 33, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/24/33/335503
关键词
-
资金
- National Basic Research Project of China [2010CB630701, 2011CB922204]
- National Natural Science Foundation of China [91022036, 11174297]
Electronic structures of the deep ultraviolet nonlinear optical crystals of the KBe2BO3F2 (KBBF) family, including KBBF, RbBe2BO3F2 and CsBe2BO3F2, have been investigated based on a plane-wave pseudopotential method. Their linear and nonlinear optical coefficients are also calculated, and are in good agreement with the experimental results. A real-space atom-cutting method is adopted to analyze the respective contributions of the alkali metal cations and anionic groups to optical response. The results show that the contributions of anionic groups to the nonlinear optical anisotropic responses are dominant, but the influence of the A-site alkali metal cations becomes slightly more pronounced with the increase of their radius. Moreover, the birefringence difference among these crystals strongly depends on the volume effect, i.e., the spatial density of the (BO3)(3-) anionic groups.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据