Elsevier

Surface Science

Volumes 331–333, Part A, 1 July 1995, Pages 557-563
Surface Science

Se/GaAs(110): energetics and structure

https://doi.org/10.1016/0039-6028(95)00317-7Get rights and content

Abstract

We present ab initio calculations based on density-functional theory of the Se-deposited GaAs(110) surface for different coverages, θ = 1/4, 1/2, 1, and 3/2, and various structural models. In the submonolayer case the highest adsorption energy is found for Se atoms bound in an interchain bridging position. For higher coverages we discuss a variety of adsorption models and compare these with exchange reactions in terms of the thermodynamic stability. We observe a tendency for an exchange of As and Se atoms in the uppermost layers and subsequent segregation of As at the surface. For the energetically most favoured structures we compare the calculated band structures with data from soft X-ray photoemission spectroscopy.

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    Citation Excerpt :

    In addition, Se is used in the fabrication of glass and ceramics. The literature on Se appears to focus entirely on either Se cluster deposition [8,9] and thin film growth (mostly on semiconductor supports [10–13]) or on the study of alloy formation [14]. Se forms oxides, hydrides (HSe, ref [15] and H2Se, ref [16]), and halides.

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