First-principles calculation of optical properties:: Application to embedded Ge and Si dots

被引：0

作者：

Weissker, HC ^{[1
]}

Furthmüller, J ^{[1
]}

Bechstedt, F ^{[1
]}

机构：

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

来源：

PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 2001年 / 224卷 / 03期

关键词：

D O I：

10.1002/(SICI)1521-3951(200104)224:3<769::AID-PSSB769>3.3.CO;2-D

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We calculate both the imaginary and real part of the dielectric function for Ge and Si dots embedded in cubic SiC and other wide-ap semiconductors simulated by a hydrogen coverage. Nanocrystals of up to 239 atoms are studied using supercells of normally 512 atoms. Ab-initio electronic structure calculations are performed in the independent-particle approximation and using a pseudopotential-plane-wave code. Absorption spectra are studied in dependence on the dot size. The results are compared with recent measurements, e.g. for Ge nanocrystals in sapphire.

引用

页码：769 / 773

页数：5

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