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

S. -R. G. Christopoulos; H. Wang; A. Chroneos; C. A. Londos; E. N. Sgourou; U. Schwingenschloegl

doi:10.1007/s10854-014-2576-9

Back

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

Journal article

Peer reviewed

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

S. -R. G. Christopoulos, H. Wang, A. Chroneos, C. A. Londos, E. N. Sgourou and U. Schwingenschloegl

Journal of materials science. Materials in electronics, Vol.26(3), pp.1568-1571

01/03/2015

DOI: https://doi.org/10.1007/s10854-014-2576-9

Abstract

Engineering

Engineering, Electrical & Electronic

Materials Science

Materials Science, Multidisciplinary

Physical Sciences

Physics

Physics, Applied

Physics, Condensed Matter

Science & Technology

Technology

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.

Metrics

1 Record Views

Details

Title: VV and VO2 defects in silicon studied with hybrid density functional theory
Creators - without role: S. -R. G. Christopoulos - National and Kapodistrian University of Athens
H. Wang - Kootenay Association for Science & Technology
A. Chroneos - Coventry University
C. A. Londos - National and Kapodistrian University of Athens
E. N. Sgourou - National and Kapodistrian University of Athens
U. Schwingenschloegl - KAUST, PSE Div, Thuwal 239556900, Saudi Arabia
Publication Details: Journal of materials science. Materials in electronics, Vol.26(3), pp.1568-1571
Publisher: Springer Nature
Number of pages: 4
Grant note: King Abdullah University of Science and Technology (KAUST); King Abdullah University of Science & Technology
Identifiers: 9944932408331
Academic Unit: King Abdullah University of Science & Technology
Language: English
Resource Type: Journal article