Pseudopotential calculations of nanoscale CdSe quantum dots

被引：419

作者：

Wang, LW ^{[1
]}

Zunger, A ^{[1
]}

机构：

[1] NATL RENEWABLE ENERGY LAB, GOLDEN, CO 80401 USA

来源：

PHYSICAL REVIEW B | 1996年 / 53卷 / 15期

关键词：

D O I：

10.1103/PhysRevB.53.9579

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A plane-wave semiempirical pseudopotential method with nonlocal potentials and spin-orbit coupling is used to calculate the electronic structure of surface-passivated wurtzite CdSe quantum dots with up to 1000 atoms. The calculated optical absorption spectrum reproduces the features of the experimental results and the exciton energies agree to within similar to 0.1 eV over a range of dot sizes. The correct form of Coulomb interaction energy with size-dependent dielectric constant is found to be essential for such good agreement.

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页码：9579 / 9582

页数：4

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