Supercell size scaling of density functional theory formation energies of charged defects

By N. Hine, Kilian Frensch, W. Matthew C. Foulkes, M. Finnis. 2009

179 citations recorded by the source corpus.

Subfields: Condensed Matter Physics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/29d820b0946a76745f8501e441893fdb0b90d44a