G-centers in irradiated silicon revisited: A screened hybrid density functional theory approach

Journal Article · Wed May 14 00:00:00 EDT 2014 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4875658· OSTI ID:22275548

Wang, H.; Londos, C. A.; Sgourou, E. N. ^[1]

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1. University of Athens, Solid State Physics Section, Panepistimiopolis Zografos, Athens 157 84 (Greece)

Electronic structure calculations employing screened hybrid density functional theory are used to gain fundamental insight into the interaction of carbon interstitial (C{sub i}) and substitutional (C{sub s}) atoms forming the C{sub i}C{sub s} defect known as G-center in silicon (Si). The G-center is one of the most important radiation related defects in Czochralski grown Si. We systematically investigate the density of states and formation energy for different types of C{sub i}C{sub s} defects with respect to the Fermi energy for all possible charge states. Prevalence of the neutral state for the C-type defect is established.

• OSTI ID: 22275548
• Journal Information: Journal of Applied Physics, Vol. 115, Issue 18; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CARBON
CHARGE STATES
DENSITY FUNCTIONAL METHOD
ELECTRONIC STRUCTURE
FERMI LEVEL
FORMATION HEAT
INTERSTITIALS
IRRADIATION
PHYSICAL RADIATION EFFECTS
SILICON