Mahmoud, Sami; Carrez, Philippe; Landeiro Dos Reis, Marie; Mousseau, Normand; Cordier, Patrick (American Physical Society, 2021-03-25)
In simple ionic crystals, intrinsic point defects must satisfy electrical neutrality and exist as Schottky defects.
In magnesium oxide (MgO), a Schottky defect is then a combination of anionic and cationic vacancies. Since
vacancies are charged, the ...