Structure and diffusion of intrinsic defects, adsorbed hydrogen, and water molecules at the surface of alkali-earth fluorides calculated using density functional theory
نویسندگان
چکیده
A. S. Foster,1,2 T. Trevethan,3,4 and A. L. Shluger3,4 1Laboratory of Physics, Helsinki University of Technology, P.O. Box 1100, 02015 Helsinki, Finland 2Department of Physics, Tampere University of Technology, P.O. Box 692, 33101 Tampere, Finland 3Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom 4WPI-AIMR Tohoku University, 2-1-1 Katahira, Aoba, Sendai 980-8577, Japan Received 27 March 2009; published 17 September 2009
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