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Electronic and Optical Properties of SiGe alloys within first-principles schemes

Published online by Cambridge University Press:  26 February 2011

G. Cappellini ,
G. Satta ,
M. Palummo  and
G. Onida
G. Cappellini
Affiliation:
SLACS-INFM and Dipartimento di Fisica, Università di Cagliari, I-09042 Monserrato (Cagliari), Italy
G. Satta
Affiliation:
SLACS-INFM and Dipartimento di Fisica, Università di Cagliari, I-09042 Monserrato (Cagliari), Italy
M. Palummo
Affiliation:
INFM and Dipartimento di Fisica, II Università di Roma ”Tor Vergata”, I-00133 Rome, Italy
G. Onida
Affiliation:
INFM and Dipartimento di Fisica, Università di Milano, I-20133 Milano, Italy
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Abstract

We present first-principles calculated electronic and optical properties of some SiGe alloys. The ground-state, electronic excitations and optical properties have been calculated with Ge and Si atoms arranged in different ways among the sites of a diamond-type lattice. For the ground state a DFT-LDA scheme and for the electronic excitations a DFT-GW approach have been respectively used. For the optical properties the DFT-LDA-RPA scheme has been applied for alloys going in composition from Si(100%) to Ge(100%): obtained results have been compared with existing experimental and theoretical data. For the noticeable Si(50%)Ge(50%) alloy also two-particle effects have been evaluated using the Bethe-Salpeter equation.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 829: Symposium B – Progress in Compound Semiconductor Materials IV – Electronic and Optoelectronic Applications , 2004 , B9.20
Copyright
Copyright © Materials Research Society 2005

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References

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