Halogen adsorption at an As-stabilized β2-GaAs (001)-(2×4) surface

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Halogen adsorption at an As-stabilized β2-GaAs (001)-(2×4) surface	1 MB	Adobe Acrobat PDF	Read	Download
DOI Доступ к ресурсу на сайте издателя			10.1134/S1063782616020056

Title: Halogen adsorption at an As-stabilized β2-GaAs (001)-(2×4) surface
Creator: Bakulin, Alexander V.
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Kulkova, Svetlana E.
Date: 2016
DOI: 10.1134/S1063782616020056
Description: Halogen (F, Cl, Br, and I) adsorption at an As-stabilized GaAs (001) surface with the β2–(2 × 4) reconstruction is studied using the plane-wave projected-augmented wave method. The effect of halogens on the structural and electronic characteristics of the semiconductor surface is analyzed. The T2′ site at the missing row edge is shown to be the energetically most favorable for the adsorption of F, Cl, and Br, whereas I prefers the H3 site between adjacent arsenic dimers in the third layer from the surface. Ga-halogen bond formation suggests that charge is transferred via the depletion of occupied orbitals of the As-dimer surface atoms, which leads to the weakening of Ga–As bonds in the substrate. The weakening of bonds between substrate-surface atoms due to the interaction of halogens with the surface is estimated.

Created: 03-04-2017

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Физический факультет Halogen adsorption at an As-stabilized β2-GaAs (001)-(2×4) surface