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J4 ›› 2009, Vol. 44 ›› Issue (7): 26-28.

• 论文 • 上一篇    下一篇

一定压强下CaH2单晶的光学性质分析

何建勇1,张正仁1,隆正文1,黄多辉2   

  1. 1.贵州大学物理系,贵州 贵阳 550025; 2. 宜宾学院物理与电子工程系, 四川 宜宾 644000
  • 收稿日期:2009-03-13 出版日期:2009-07-16 发布日期:2009-11-01
  • 通讯作者: 何建勇(1984-),男,硕士研究生,研究方向为凝聚态物理.Email:hjy-lxq@163.com
  • 作者简介:何建勇(1984-),男,硕士研究生,研究方向为凝聚态物理.Email:hjy-lxq@163.com
  • 基金资助:

    国家自然科学基金资助项目(10865003)

Optical properties of CaH2 at a certain pressure

HE Jianyong1, ZHANG Zhengren1, LONG Zhengwen1, HUANG Duohui2   

  1. 1. Department of Physics, Guizhou University, Guiyang 550025, Guizho u, China;2. Department of Physics and Electronic Engineering, Yibin University, Yibin 64 4000, Sichuan, China
  • Received:2009-03-13 Online:2009-07-16 Published:2009-11-01

摘要:

根据密度泛函理论,采用平面波赝势方法,对单晶CaH2在0~500?GPa的静水压下的光学性质进行了理论研究。结果表明单晶CaH2在0~500?GPa的静水压范围内没有好的透明性,且吸收波段随压强的增加出现了蓝移的现象。计算的晶格常数与实验值符合得很好。

关键词: 晶格常数;体积模量;光学透明性;密度泛函理论

Abstract:

The optical properties of single crystal CaH2 were investigated by the methods of plane wave pseudopotential density functional theory in a range of hydrostatic pressure from 0 to 500?GPa. The calculation results showed a blue shift at absorption wavelength with the pressure increasing. According to the absorption spectrums, CaH2 can not keep good transparency in a range of hydrostatic pressure from 0 to 500?GPa. The calculated lattice constants were in good agreement with the experimental data.

Key words: lattices constants; bulk modulus; optical transparence; densi ty functional theory

中图分类号: 

  • O43
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