| 共轭梯度法研究超晶格GaAs/AlxGa1－xAs的电子结构 |
| |
| 引用本文： | 金英进,姜恩永,金光日,金成规,任世伟.共轭梯度法研究超晶格GaAs/AlxGa1－xAs的电子结构[J].天津大学学报(英文版),2001,7(2):98-100. |
| |
| 作者姓名： | 金英进 姜恩永 金光日 金成规 任世伟 |
| |
| 作者单位： | 1. 天津大学理学院应用物理系,
2. 金日成综合大学物理系, |
| |
| 基金项目： | 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 |
| |
| 摘 要： | 改进了一种从头计算方法—共轭梯度方法 ,研究了超晶格 Ga As/ A lx Ga1 - x A s的电子结构 .根据超晶格的基本方程 ,在固定电子密度 n(z)下 ,求解了基本方程的本征值和本征函数 ,并由它们组成新的 n(z) ,重复此过程直到得自洽解 .另按超晶格基本方程的具体情况 ,对每个 kz独立地应用了共轭梯度方法 ,此可大大节省与 Gram-Schm it正交化有关的时间 .计算了超晶格的两个最低子能带之间的能量差和 F ermi能量 ,其模拟计算的结果与对应的实验数值一致
|
| 关 键 词： | 电子结构 超晶格 从头计算 共轭梯度方法 |
ab initio CALCULATION FOR THE ELECTRONIC STRUCTURE OF GaAs/Al_xGa_(1-x) As SUPERLATTICES: CONJUGATE GRADIENT APPROACH |
| |
| KIM Yong-jin,JIANG En-yong,KIM Gwang-il,KIM Seung-giu,REN Shi-wei.ab initio CALCULATION FOR THE ELECTRONIC STRUCTURE OF GaAs/Al_xGa_(1-x) As SUPERLATTICES: CONJUGATE GRADIENT APPROACH[J].Transactions of Tianjin University,2001,7(2):98-100. |
| |
| Authors: | KIM Yong-jin JIANG En-yong KIM Gwang-il KIM Seung-giu REN Shi-wei |
| |
| Institution: | KIM Yong jin 1,2,JIANG En yong 1,KIM Gwang il 2,KIM Seung giu 2,REN Shi wei 1 |
| |
| Abstract: | The electronic structure of GaAs/AlxGa1－xAs superlattices has been investigated by an ab initio calculation method-the conjugate gradient (CG) approach.In 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 kz,we apply the CG schemes independently.The calculated energy difference between two minibands,and Fermi energy are in good agreement with the experimental data. |
| |
| Keywords: | electronic structure superlattice ab initio calculation conjugate gradient approach |
| 本文献已被 CNKI 维普 万方数据 等数据库收录！ |
|
