Quantum confinement in Si- and Ge-capped nanocrystallites -: art. no. 045351

被引：46

作者：

Ramos, LE ^{[1
]}

Furthmüller, J ^{[1
]}

Bechstedt, F ^{[1
]}

机构：

[1] Univ Jena, Inst Festkorpertheorie & Opt, D-07743 Jena, Germany

来源：

PHYSICAL REVIEW B | 2005年 / 72卷 / 04期

关键词：

D O I：

10.1103/PhysRevB.72.045351

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present an ab initio plane-wave-pseudopotential investigation of Si- (Ge-)capped Ge (Si) nanocrystallites. The effects of capping Si and Ge nanocrystallites on the electron-hole pair excitation energies, optical absorption spectra, localization of the highest-occupied and lowest-unoccupied molecular orbitals, Stokes shifts, and radiative lifetimes are analyzed. The bond lengths and the localization of electrons and holes in the Si- (Ge-)capped nanocrystallites are similar to those found in the analogous Si/Ge heterostructures. Due to the changes in the quantum confinement properties caused by the capping, there are significant differences in the electronic and optical properties of Ge-capped Si nanocrystallites and Si-capped Ge nanocrystallites.

引用

页数：8

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