Doping Rules and Doping Prototypes in A2BO4 Spinel Oxides

作者: Tula R. Paudel , Andriy Zakutayev , Stephan Lany , Mayeul d'Avezac , Alex Zunger

DOI: 10.1002/ADFM.201101469

关键词: Chemical physicsAcceptorSpinelElectrical resistivity and conductivityIonizationDopingElectrical conductorElectronMaterials scienceInorganic chemistryFermi 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 …

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