| First-Principles Studies on the Electronic Structures and Optical Properties for the PbWO4 Crystal Containing V^2-pb |
| |
| 作者姓名： | 刘迁禹 张启仁 庄松林 |
| |
| 作者单位： | CollegeofScience,UniversityofShanghaiforScienceandTechnology,Shanghai200093 |
| |
| 摘 要： | The electronic structures, dielectric functions, complex refractive indices and absorption spectra for a perfect PbW04 (PWO) crystal and the PWO crystals containing lead vacancy V^2-pb have been calculated using a full-potential (linearized) augmented plane-wave (LAPW) local orbitals (LO) method with the lattice structureoptimized. The peaks of the absorption spectra corresponding to the electronic transitions have been studied.
|
| 关 键 词： | 电子结构 光学性质 钨酸铅晶体 V^2-pb 线性平面波法 |
| 本文献已被 维普 等数据库收录！ |
|
