Fully ab initio finite-size corrections for charged-defect supercell calculations.

By Christoph Freysoldt, Jörg Neugebauer, C. G. Van de Walle. Physical Review Letters, 2009

1,000 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/37fc68f25d6cc27e3e0575d80ad5ae457e85bd90