摘要
用从头计算的LMTO-ASA方法计算(GaAs)_1(AlAs)_1(111)超晶格和体材料GaAs、AlA_3的能带结构,给出布里洲区对称点Γ、Z、D主要能带本征值的对称性标记和对应关系,结果表明,(GaAs)_1(AlAs)_1(111)能带与体材料能带有一定的对应转化关系,能带隙是直接能隙,在布里洲区Γ点。
An ab-initio LMTO-ASA method has been used to calculate (GaAs)1 (AlAs)1(111) superlattice, the bulk GaAs and AlAs band structure. The symmetry notations of the main band eigenvalues at the symmetric points (T.Z.and D) and its correspondent relation have been given. The calculation indicates : (i) A certain correspondent transformation relation exists in the bands of the superlattice and the bulk; (ii) The superlattice has a direct band gap at the point Γ of the Brillouin zone.
出处
《厦门大学学报（自然科学版）》
CAS
CSCD
北大核心
1993年第3期293-298,共6页
Journal of Xiamen University：Natural Science
基金
国家自然科学基金
关键词
超晶格
能带结构
L-A法
(GaAs)1(AlAs)1(111) superlattice, Band structure calculation
