SOLVING SCHRODINGERS EQUATION AROUND A DESIRED ENERGY - APPLICATION TO SILICON QUANTUM DOTS

被引：430
作者：
WANG, LW
ZUNGER, A
机构：
[1] National Renewable Energy Laboratory, Golden
来源：
JOURNAL OF CHEMICAL PHYSICS | 1994年 / 100卷 / 03期
关键词：
D O I：
10.1063/1.466486
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We present a simple, linear-in-size method that enables calculation of the eigensolutions of a Schrodinger equation in a desired energy window. We illustrate this method by studying the near-gap electronic structure of Si quantum dots with size up to Si1315H460(approximate to 37 Angstrom in diameter) using a plane wave pseudopotential representation.
引用
收藏
页码：2394 / 2397
页数：4
相关论文
共 29 条
[1]  
[Anonymous], 1985, LANCZOS ALGORITHMS L
[2]   CLUSTER-EXTENDED GREENS-FUNCTION FOR ELECTRONIC-STRUCTURE OF LOCALIZED DEFECTS IN SOLIDS [J].
BARAFF, GA ;
SCHLUTER, M ;
ALLAN, G .
PHYSICAL REVIEW B, 1983, 27 (02) :1010-1016
[3]   THE QUANTUM-MECHANICS OF LARGER SEMICONDUCTOR CLUSTERS (QUANTUM DOTS) [J].
BAWENDI, MG ;
STEIGERWALD, ML ;
BRUS, LE .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1990, 41 :477-496
[4]   ABINITIO THEORY OF THE SI(111)-(7X7) SURFACE RECONSTRUCTION - A CHALLENGE FOR MASSIVELY PARALLEL COMPUTATION [J].
BROMMER, KD ;
NEEDELS, M ;
LARSON, BE ;
JOANNOPOULOS, JD .
PHYSICAL REVIEW LETTERS, 1992, 68 (09) :1355-1358
[5]   ELECTRONIC WAVE-FUNCTIONS IN SEMICONDUCTOR CLUSTERS - EXPERIMENT AND THEORY [J].
BRUS, L .
JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (12) :2555-2560
[6]  
COHEN ML, 1988, ELECTRONIC STRUCTURE
[7]   QUANTUM CONFINEMENT IN SI NANOCRYSTALS [J].
DELLEY, B ;
STEIGMEIER, EF .
PHYSICAL REVIEW B, 1993, 47 (03) :1397-1400
[8]   SURFACE-INDUCED ORDERING IN GAINP [J].
FROYEN, S ;
ZUNGER, A .
PHYSICAL REVIEW LETTERS, 1991, 66 (16) :2132-2135
[9]  
HIRAO M, 1993, MAT RES S C, V283, P425
[10]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
123