准一维无序系统的电子结构

计算物理 ›› 1997, Vol. 14 ›› Issue (S1): 574-576.

准一维无序系统的电子结构

徐慧

中南工业大学应用物理系, 长沙 410083

收稿日期:1997-02-25 修回日期:1997-05-20 出版日期:1997-12-25 发布日期:1997-12-25
基金资助:
中国有色金属工业总公司资助项目

THE ELECTRONIC STRUCTURE OF QUASI-ONE DIMENSIONAL DISORDERD SYSTEM

Xu Hui

Department of Applied Physics Central South University of Technology, Changsha 410083

Received:1997-02-25 Revised:1997-05-20 Online:1997-12-25 Published:1997-12-25

摘要/Abstract

摘要： 利用负本征值理论的态密度计算方法,研究了准一维双链无序系统的电子结构。并针对系统大小,对角和非对角无序程度等各种参数,探讨了电子的局域化、系统能量分布范围等问题。在引进无序参量后,对角无序主要引起电子局域态的增多,而非对角无序则使系统的能量分布范围发生变化。

关键词: 准一维, 无序系统, 电子态密度

Abstract: The electronic structure of quasi-one-dimensional disordered system is studied by the computation of the density of electronic states with the help of the negative eigenvalue theory. The localization of electronic states and the distribution zone of the system energy are discussed to the parameters of system size and the disordered degree of diagonal and non-diagonal elements. The electronic localized states are increased with the enhancing of the diagonal disordered degree and the distribution zone of the system energy is widened with the enhancing of the non-diagonal disordered degree.

Key words: Quasi-one dimensional, Disordered system, Density of electronic state

中图分类号:

O481.1

徐慧. 准一维无序系统的电子结构[J]. 计算物理, 1997, 14(S1): 574-576.

Xu Hui. THE ELECTRONIC STRUCTURE OF QUASI-ONE DIMENSIONAL DISORDERD SYSTEM[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 1997, 14(S1): 574-576.

[1]	郝军华, 吴志强, 王铮, 金庆华, 李宝会, 丁大同. 加压下ZnO结构相变和电子结构的第一性原理计算[J]. 计算物理, 2010, 27(5): 759-764.
[2]	宋招权, 徐慧, 刘小良, 马松山. 准一维三平行链无序系统电子结构[J]. 计算物理, 2005, 22(1): 51-55.
[3]	胡慧芳, 张丽芳, 汪小知, 梁君武. 拓扑缺陷的不同分布对单壁碳纳米管电学性能的影响[J]. 计算物理, 2004, 21(3): 369-372.
[4]	徐慧. 一维无序系统本征矢的解法[J]. 计算物理, 1991, 8(3): 295-304.