First principles study on oxygen vacancy formation in rock salt-type oxides MO (M: Mg, Ca, Sr and Ba)

Ceramics International

Volumn 39, Issue SUPPL.1, 2013, Pages

  Yamamoto, Takashi ^a   Mizoguchi, Teruyasu ^a  

^a INSTITUTE OF INDUSTRIAL SCIENCE   (Japan)

Author keywords

B. Defects; D. Alkaline earth oxides; D. MgO; E. Insulators

Indexed keywords

ALKALINE EARTH OXIDES; CONDUCTION-BAND MINIMUM; FIRST-PRINCIPLES STUDY; MGO; NEUTRAL OXYGEN VACANCY; OXYGEN VACANCY FORMATION ENERGIES; PROJECTOR AUGMENTED WAVES; REDUCTION ATMOSPHERES;

CALCIUM; DENSITY FUNCTIONAL THEORY; MAGNESIA; SALT DEPOSITS;

OXYGEN VACANCIES;

EID: 84875717638     PISSN: 02728842     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ceramint.2012.10.079     Document Type: Conference Paper

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