Electrostatic interactions between charged defects in supercells - Freysoldt, Christoph; Neugebauer, Jörg; Van de Walle, Chris G. (Physica Status Solidi (b), 2011)
Keywords: Asymptotic properties; Charging; Condensed matter; Condensed matter: electronic structure, electrical, magnetic, and optical properties; Defects; Density; Electron states; Electrostatics; Elemental semiconductors; Exact sciences and technology; formation energy; Gallium arsenide; Iii-v semiconductors; Impurity and defect levels; Lattice vacancies; Physics; point defects; supercells; Screening; Gallium arsenides; Point defects; Vacancies; Diamonds; Electrostatic interaction; Density functional method; Boundary conditions; Lattice parameters