The electronic structure of a (GaAs)1 (AlAs)1, (001) superlattice has been investigated by an ab initio self-consistenf approach-the linear muffin-tin orbital (LMTO) with the atomic sphere approximation (ASA) based on the density functional theory (DFT).

• 本文用密度泛函线性丸盒轨道原子球近似方法(DFT-LMTO-ASA)对(GaAs)_1(AlAs)_1(001)超晶格的电子结构进行了第一原理性计算。