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First principles study of Gallium atom adsorption on the alpha-AL2O3(0001) surface

Yang, Rui; Rendell, Alistair

Description

The adsorption of Ga atoms in low coverage on the Al-terminated α-Al2O3(0001) surface has been studied theoretically by using first principles periodic boundary condition (PBC) calculations within the framework of the generalized gradient approximation (

CollectionsANU Research Publications
Date published: 2006
Type: Journal article
URI: http://hdl.handle.net/1885/31920
Source: Journal of Physical Chemistry B
DOI: 10.1021/jp057391u

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