Electronic and structural properties of the (001) SrZrO3 surface

Journal of Molecular Structure: THEOCHEM

Volumn 813, Issue 1-3, 2007, Pages 49-56

  Sambrano, J R ^a   Longo, V M ^b   Longo, E ^b   Taft, C A ^c  

^a SÃO PAULO STATE UNIVERSITY UNESP   (Brazil)

^b FEDERAL UNIVERSITY OF SÃO CARLOS   (Brazil)

^c CENTRO BRASILEIRO DE PESQUISAS FÍSICAS   (Brazil)

Author keywords

B3LYP; CRYSTAL; Periodic calculations; Perovskite; SrZrO3; Surfaces

Indexed keywords

EID: 34249339365     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.02.022     Document Type: Article

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