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CdS的电子结构和光学性质 被引量:1

Electronic structure and optical properties of CdS
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摘要 根据密度泛函理论体系下的平面波赝势(PW P)和广义梯度近似(GGA)方法,利用第一性原理对CdS晶体闪锌矿结构进行研究计算,得到其平衡晶格常数、电子态密度分布、能带结构、光吸收系数等性质,详细讨论其电子结构,并且结合实验结果定性分析了半导体CdS的光学性质. The electronic structure and optical properties of zinc blended structure CdS are calculated by the means of plane wave pseudo-potential method (PWP) with generalized gradient approximation (GGA). The density of state, energy band structure, and optical absorption properties are also calculated. Furthermore, the changes of electron structure, band structure and optical properties are analyzed with the results in experiment and theory.
出处 《扬州大学学报(自然科学版)》 CAS CSCD 2008年第4期32-35,共4页 Journal of Yangzhou University:Natural Science Edition
基金 江苏省科技厅工业高技术项目(BG2007026)
关键词 闪锌矿结构 态密度 能带结构 密度泛函理论 zinc blended structure density of state energy band structure density function theory
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