Open AccessTheory of Hydrogen Diffusion and Reactions in Crystalline Silicon
Author(s) -
Chris G. Van de Walle,
Yaneer BarYam,
Sokrates T. Pantelides
Publication year - 1988
Publication title -
physical review letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.688
H-Index - 673
eISSN - 1079-7114
pISSN - 0031-9007
DOI - 10.1103/physrevlett.60.2761
Subject(s) - supercell , density functional theory , silicon , hydrogen , crystalline silicon , chemical physics , diffusion , ab initio , materials science , ab initio quantum chemistry methods , charge (physics) , computational chemistry , molecular physics , thermodynamics , chemistry , physics , quantum mechanics , molecule , thunderstorm , meteorology , metallurgy
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