This article is cited in 8 papers

Non-electronic properties of semiconductors (atomic structure, diffusion)

Chlorine adsorption on the InAs (001) surface

A. V. Bakulin^ab, S. V. Eremeev^abc, O. E. Tereshchenko^de, S. E. Kul'kova<sup>abc

a</sup> Institute of Strength Physics and Materials Science, Siberian Branch of the Russian Academy of Sciences, Tomsk
^b Tomsk State University
^c Donostia International Physics Center (DIPC), 20018 San Sebastián, Donostia, Spain
^d Institute of Semiconductor Physics, Siberian Branch of Russian Academy of Sciences, Novosibirsk
^e Novosibirsk State University

Abstract: Chlorine adsorption on the In-stabilized InAs(001) surface with $\zeta$-(4 $\times$ 2) and $\beta3'$-(4 $\times$ 2) reconstructions and on the Ga-stabilized GaAs (001)-$\zeta$-(4 $\times$ 2) surface has been studied within the electron density functional theory. The equilibrium structural parameters of these reconstructions, surface atom positions, bond lengths in dimers, and their changes upon chlorine adsorption are determined. The electronic characteristics of the clean surface and the surface with adsorbed chlorine are calculated. It is shown that the most energetically favorable positions for chlorine adsorption are top positions over dimerized indium or gallium atoms. The mechanism of chlorine binding with In(Ga)-stabilized surface is explained. The interaction of chlorine atoms with dimerized surface atoms weakens surface atom bonds and controls the initial stage of surface etching.

Received: 13.01.2010
Accepted: 19.05.2010

 English version: Semiconductors, 2011, 45:1, 21–29

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