Characteristics of boron and nitrogen species on aluminum surface

The interactions of boron and nitrogen atoms with an aluminum (0 0 1) surface have been studied by means of density functional theory (DFT). Calculations of potential energy surfaces show that the nitrogen adsorption favors the formation of stronger bond with aluminum than the boron adsorption. This...

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Veröffentlicht in:	Computational materials science 2002-04, Vol.23 (1), p.38-42
Hauptverfasser:	Zhang, R.Q, Lo, S.F, Wan, J, Yu, D.K, Lee, S.T
Format:	Artikel
Sprache:	eng
Schlagworte:	Adhesion Aluminum surface Boron nitride Condensed matter: electronic structure, electrical, magnetic, and optical properties Density functional theory (DFT) Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures Exact sciences and technology Impurity and defect levels energy states of adsorbed species Physics Surface and interface electron states
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