skip to main content

SciTech ConnectSciTech Connect

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

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.
Authors:
;  [1] ;  [2] ;  [3] ; ;  [4]
  1. PSE Division, KAUST, Thuwal 23955-6900 (Saudi Arabia)
  2. Engineering and Innovation, The Open University, Milton Keynes MK7 6AA (United Kingdom)
  3. (United Kingdom)
  4. University of Athens, Solid State Physics Section, Panepistimiopolis Zografos, Athens 157 84 (Greece)
Publication Date:
OSTI Identifier:
22275548
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 18; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
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