VV and VO2 defects in silicon studied with hybrid density functional theory
Type
ArticleAuthors
Christopoulos, Stavros Richard GWang, Hao
Chroneos, Alexander I.
Londos, Charalampos A.
Sgourou, Efstratia N.
Schwingenschlögl, Udo

KAUST Department
Computational Physics and Materials Science (CPMS)Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2014-12-07Online Publication Date
2014-12-07Print Publication Date
2015-03Permanent link to this record
http://hdl.handle.net/10754/575625
Metadata
Show full item recordAbstract
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/s10854-014-2576-9Sponsors
Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).Publisher
Springer Natureae974a485f413a2113503eed53cd6c53
10.1007/s10854-014-2576-9