Quantum Monte Carlo calculations of nanostructure optical gaps: Application to silicon quantum dots

被引：187

作者：

Williamson, AJ ^{[1
]}

Grossman, JC ^{[1
]}

Hood, RQ ^{[1
]}

Puzder, A ^{[1
]}

Galli, G ^{[1
]}

机构：

[1] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA

来源：

PHYSICAL REVIEW LETTERS | 2002年 / 89卷 / 19期

关键词：

D O I：

10.1103/PhysRevLett.89.196803

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Quantum Monte Carlo (QMC) calculations of the optical gaps of silicon quantum dots ranging in size from 0 to 1.5 nm are presented. These QMC results are used to examine the accuracy of density functional (DFT) and empirical pseudopotential based calculations. The GW approximation combined with a solution of the Bethe-Salpeter equation performs well but is limited by its scaling with system size. Optical gaps predicted by DFT vary by 1-2 eV depending on choice of functional. Corrections introduced by the time dependent formalism are found to be minimal in these systems.

引用

页码：1 / 196803

页数：4

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