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

Type
Article
Authors
Christopoulos, Stavros Richard G
Wang, Hao
Chroneos, Alexander I.
Londos, Charalampos A.
Sgourou, Efstratia N.
Schwingenschlögl, Udo cc
KAUST Department
Computational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2014-12-07
Online Publication Date
2014-12-07
Print Publication Date
2015-03
Permanent link to this record
http://hdl.handle.net/10754/575625

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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.
Citation
Christopoulos, S.-R. G., Wang, H., Chroneos, A., Londos, C. A., Sgourou, E. N., & Schwingenschlögl, U. (2014). VV and VO2 defects in silicon studied with hybrid density functional theory. Journal of Materials Science: Materials in Electronics, 26(3), 1568–1571. doi:10.1007/s10854-014-2576-9
Sponsors
Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).
Publisher
Springer Nature
Journal
Journal of Materials Science: Materials in Electronics
DOI
10.1007/s10854-014-2576-9
Collections
Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program; Computational Physics and Materials Science (CPMS)