(GaAs)_1(AlAs)_1(001)超晶格与闪锌矿结构Ga_(0.5)Al_(0.5)As合金虚晶能带的对应性

ON THE CORRESPONDENCE OF BAND EIGENSTATES OF (GaAs)_1(AlAs)1(001) SUPERLATTICE AND Ga_(0.5)Al_(0.5)As ALLOY

基于线性丸盒轨道原子球近似(LMTO-ASA)数值计算,比较(GaAs)_1(AlAs)_1(001)超晶格与闪锌矿结构Ga_(0.5)Al_(0.5)As合金虚晶能带本征态,发现它们可以用Ⅲ价和Ⅴ价原子平面的分波态进行统一描述,用这种方法详细分析超晶格与闪锌矿结构合金在布里渊区Γ,M(X)和R(L)诸点主要能带本征态之间的对应关系,讨论了超晶格布里渊区能带折叠对本征态的影响。

Based on the LMTO-ASA numerical calculations, we contrast the band eigensrates of the (GaAs)1(AlAs)1(001) superlatrice with those of the zincblende Ga0.5Al0.5As alloy. We find that they can be described unifiedly by the partial-wave states of the III and V group atomic planes. In this scheme, we analyze in more detial the correspondence relations of the band eigenstates of superlattice and zincblende alloy at Γ, M(X), and R(L) points. The effects of the superlattice zone folding on the eigenstates are also discussed.