作者: Tula R. Paudel , Andriy Zakutayev , Stephan Lany , Mayeul d'Avezac , Alex Zunger
关键词: Chemical physics 、 Acceptor 、 Spinel 、 Electrical resistivity and conductivity 、 Ionization 、 Doping 、 Electrical conductor 、 Electron 、 Materials science 、 Inorganic chemistry 、 Fermi level pinning
摘要: … Similar to the oxygen vacancy, cation vacancies are not the … into account the DFT band gap error GGA+U approximation. … approach as implemented in VASP code51, 52 is used with …