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Title: Characterization of the nitrogen split interstitial defect in wurtzite aluminum nitride using density functional theory

We carried out Heyd-Scuseria-Ernzerhof hybrid density functional theory plane wave supercell calculations in wurtzite aluminum nitride in order to characterize the geometry, formation energies, transition levels, and hyperfine tensors of the nitrogen split interstitial defect. The calculated hyperfine tensors may provide useful fingerprint of this defect for electron paramagnetic resonance measurement.
Authors:
 [1] ;  [1] ;  [2] ; ; ;  [3] ;  [1] ;  [2]
  1. Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest (Hungary)
  2. (Hungary)
  3. Department of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping (Sweden)
Publication Date:
OSTI Identifier:
22305994
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 116; Journal Issue: 11; 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; ALUMINIUM COMPOUNDS; COMPUTERIZED SIMULATION; CRYSTAL DEFECTS; DENSITY FUNCTIONAL METHOD; ELECTRON SPIN RESONANCE; FORMATION HEAT; HYBRID SYSTEMS; INTERSTITIALS; NITROGEN ADDITIONS; POINT DEFECTS; WAVE PROPAGATION