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

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Authors

Yang, Rui
Rendell, Alistair

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American Chemical Society

Abstract

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 (

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Journal of Physical Chemistry B

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2037-12-31