摘要
本文利用自洽LMTO-ASA方法研究了晶体Si及Si(111)表面的几种模型的电子结构,给出了在slab模型各不同结构下的态密度和分波态密度,以及各不等价原子态密度和分波态密度。
In this paper, the electronic structure of bulk Si and several kinds of Si(111)surface models are studied by self-consistent LMTO-ASA methods. The densitiesof states and partial densities of states for those models and for the atoms in non-equivalency layers are presented, the results are in good agreement with othertheoretical and experimental work.
出处
《量子电子学》
CSCD
1993年第3期243-248,共6页
基金
国家自然科学基金课题:项目批准号:1924012
关键词
LMTO法
电子结构
光学性质
硅表面
LMTO method
surface electronic structure
optical properties
