Managing the supercell approximation for charged defects in semiconductors: Finite-size scaling, charge correction factors, the band-gap problem, and the ab initio dielectric constant

By C. Castleton, A. Höglund, S. Mirbt. 2006

139 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Surfaces, Coatings and Films

View Paper: https://www.semanticscholar.org/paper/fe0c28d2a831807b377cfde6f939ae017221dc00