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Journal of Materials Science: Materials in Electronics
Published in: Journal of Materials Science: Materials in Electronics 3/2015

01-03-2015

VV and VO2 defects in silicon studied with hybrid density functional theory

Authors: S.-R. G. Christopoulos, H. Wang, A. Chroneos, C. A. Londos, E. N. Sgourou, U. Schwingenschlögl

Published in: Journal of Materials Science: Materials in Electronics | Issue 3/2015

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Abstract

The formation of VO (A-center), VV and VO2 defects in irradiated Czochralski-grown silicon (Si) is of technological importance. Recent theoretical studies have examined the formation and charge states of the A-center in detail. Here we use density functional theory employing hybrid functionals to analyze the formation of VV and VO2 defects. The formation energy as a function of the Fermi energy is calculated for all possible charge states. For the VV and VO2 defects double negatively charged and neutral states dominate, respectively.
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Metadata
Title
VV and VO2 defects in silicon studied with hybrid density functional theory
Authors
S.-R. G. Christopoulos
H. Wang
A. Chroneos
C. A. Londos
E. N. Sgourou
U. Schwingenschlögl
Publication date
01-03-2015
Publisher
Springer US
Published in
Journal of Materials Science: Materials in Electronics / Issue 3/2015
Print ISSN: 0957-4522
Electronic ISSN: 1573-482X
DOI
https://doi.org/10.1007/s10854-014-2576-9

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