摘要
利用完全势缀加平面波局域密度泛函近似,计算了完整的PbWO4(PWO)晶体的电子结构,模拟计算了复数折射率、介电函数及吸收光谱的偏振特性.分析了各个吸收光谱的峰值所对应的可能的电子跃迁以及PWO晶体的偏振特性.
The electronic structure, dielectric function, complex reflectivity index and absorption spectrum for the perfect PbWO4 crystal are calculated using the method of full-potential (linearized) augmented plane-wave (LAPW) + local orbitals (LO). The peaks of the absorption spectra corresponding to electronic transition are studied. It is shown in PWO crystal occurs anisotropy.
出处
《上海理工大学学报》
EI
CAS
北大核心
2005年第3期249-252,258,共5页
Journal of University of Shanghai For Science and Technology
