DFT study of BaTiO<Subscript>3</Subscript> (001) surface with O and O<Subscript>2</Subscript> adsorption
Year of publication: |
2007
|
---|---|
Authors: | Rakotovelo, G. ; Moussounda, P. S. ; Haroun, M. F. ; Légaré, P. ; Rakotomahevitra, A. ; Parlebas, J. C. |
Published in: |
The European Physical Journal B - Condensed Matter and Complex Systems. - Springer. - Vol. 57.2007, 3, p. 291-297
|
Publisher: |
Springer |
Subject: | 73.20.Hb Impurity and defect levels | energy states of adsorbed species | 71.15.Mb Density functional theory | local density approximation | gradient and other corrections |
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