Concentration of vacancies at metal-oxide surfaces: Case study of MgO(100)

Physical Review Letters

Volumn 111, Issue 4, 2013, Pages

  Richter, Norina A ^a   Sicolo, Sabrina ^b   Levchenko, Sergey V ^a   Sauer, Joachim ^b   Scheffler, Matthias ^a  

^a FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

^b HUMBOLDT UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COUPLED-CLUSTER CALCULATIONS; DOPED OXIDES; EMBEDDED CLUSTERS; EXCHANGE-CORRELATION FUNCTIONALS; FORMATION ENERGIES; METAL OXIDE SURFACES; MGO(1 0 0); SPACE CHARGE REGIONS;

DENSITY FUNCTIONAL THEORY; OXYGEN VACANCIES;

MAGNESIA;

EID: 84881496565     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.111.045502     Document Type: Article

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