First-principles theory of ionic diffusion with nondilute carriers
作者： A. Van der Ven , G. Ceder , M. Asta , P. D. Tepesch
DOI: 10.1103/PHYSREVB.64.184307
关键词:
摘要: … Diffusing ions in such materials migrate along a network of … We describe a formalism that enables a first-principles … as a link between accurate first-principles calculations of the activation …
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