ab initio CALCULATION FOR THE ELECTRONIC STRUCTURE OF GaAs/Al_xGa_(1-x) As SUPERLATTICES: CONJUGATE GRADIENT APPROACH

作     者：金英进 姜恩永 金光日 金成规 任世伟 KIM Yong-jin;JIANG En-yong;KIM Gwang-il;KIM Seung-giu;REN Shi-wei

作者机构：天津大学理学院应用物理系天津300072 金日成综合大学物理系 

出 版 物：《Transactions of Tianjin University》 (天津大学学报（英文版）)

年 卷 期：2001年第7卷第2期

页      面：98-100页

学科分类：0809[工学-电子科学与技术（可授工学、理学学位）] 07[理学] 070205[理学-凝聚态物理] 08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 0702[理学-物理学] 

基　　金：Supported by National Natural Science Foundation of China(No.50 0 72 0 1 5 and No.5980 1 0 0 6) and Tianjin Youth Foundation o 

主　　题：electronic structure superlattice ab initio calculation conjugate gradient approach 

摘      要：The electronic structure of GaAs/Al xGa 1-x As superlattices has been investigated by an ab initio calculation method—the conjugate gradient (CG) *** order to determine that,a conventional CG scheme is modified for our superlattices:First,apart from the former scheme,for the fixed electron density n(z),the eigenvalues and eigenfunctions are calculated,and then by using those,reconstruct the new n(z).Also,for every k z,we apply the CG schemes *** calculated energy difference between two minibands,and Fermi energy are in good agreement with the experimental data.