TY - JOUR
T1 - VV and VO2 defects in silicon studied with hybrid density functional theory
AU - Christopoulos, Stavros Richard G
AU - Wang, Hao
AU - Chroneos, Alexander I.
AU - Londos, Charalampos A.
AU - Sgourou, Efstratia N.
AU - Schwingenschlögl, Udo
N1 - KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).
PY - 2014/12/7
Y1 - 2014/12/7
N2 - 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.
AB - 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.
UR - http://hdl.handle.net/10754/575625
UR - http://link.springer.com/10.1007/s10854-014-2576-9
UR - http://www.scopus.com/inward/record.url?scp=84925494620&partnerID=8YFLogxK
U2 - 10.1007/s10854-014-2576-9
DO - 10.1007/s10854-014-2576-9
M3 - Article
SN - 0957-4522
VL - 26
SP - 1568
EP - 1571
JO - Journal of Materials Science: Materials in Electronics
JF - Journal of Materials Science: Materials in Electronics
IS - 3
ER -