Ab initio study of the optical transitions on low-coordinated sites of an intermediate F center: The Fs+(OH)- center on MgO(100) surface

Solid State Ionics

Volumn 178, Issue 3-4, 2007, Pages 173-178

  Markovits, Alexis ^a   Minot, Christian ^a   Ménétrey, Marion ^a   Sousa, Carmen ^b   Illas, Francesc ^b  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^b UNIVERSITY OF BARCELONA   (Spain)

Author keywords

CASPT2; DFT; F center; MgO; Optical transition; Surface

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRON TRAPS; ELECTRONIC STRUCTURE; INTERFACIAL ENERGY; MAGNESIA; OXYGEN VACANCIES;

CASPT2; F CENTER; OPTICAL TRANSITION; OPTICAL TRANSITION ENERGIES;

LIGHT TRANSMISSION;

EID: 33947628253     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssi.2006.12.005     Document Type: Article

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