半导体
从头算
谱线
光学光谱
从头算量子化学方法
材料科学
凝聚态物理
激子
分子物理学
计算化学
化学
物理
原子物理学
光电子学
量子力学
分子
作者
Stefan Albrecht,Lucia Reining,Rodolfo Del Sole,Giovanni Onida
标识
DOI:10.1103/physrevlett.80.4510
摘要
An ab initio approach to the calculation of excitonic effects in the optical absorption spectra of semiconductors and insulators is formulated. It starts from a quasiparticle band structure calculation and is based on the relevant Bethe-Salpeter equation. An application to bulk silicon shows a substantial improvement with respect to previous calculations in the description of the experimental spectrum, for both peak positions and line shape.
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