Investigation of the Ga-rich GaAs(001) Surface Reconstructions Stability and Interaction with Halogens
Electronic Archive of Sumy State University
Переглянути архів Інформація| Поле | Співвідношення | |
| Title |
Investigation of the Ga-rich GaAs(001) Surface Reconstructions Stability and Interaction with Halogens
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| Creator |
Bakulin, A.V.
Kulkova, S.E. Tereshchenko, O.E. |
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| Subject |
Semiconductor Surface
Electronic Structure Adsorption Halogens |
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| Description |
Atomic and electronic structures for a number of GaAs(001) surface geometries were studied within the density functional theory in order to re-examine the energy stability of surface reconstructions in the Ga-rich limit. It was shown that among geometries with (42) symmetry so-called ζ-model is most stable but the energetically favored Ga-rich (24) reconstructions are stabilized by dimerized Ga and As atoms. Our calculations predict the coexistence of (24) and (44) reconstructions on GaAs(001) in the Ga-rich limit. Comparative study of the halogens (F, Cl, I) adsorption on the -GaAs(001)-(42) surface were performed. The energetically preferable positions for all considered halogens are found on-top sites above dimerized and nondimerized Ga atoms. The electronic properties of the semiconductor surface and its change upon halogen adsorption are discussed. It was shown that the interaction of halogen with the Ga dimerized at-oms leads to the weakening of the chemical bonds between surface atoms that determines the initial stage of surface etching.
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| Publisher |
Sumy State University
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| Date |
2014-05-28T11:10:56Z
2014-05-28T11:10:56Z 2013 |
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| Type |
Article
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| Identifier |
Bakulin, A.V. Investigation of the Ga-rich GaAs(001) Surface Reconstructions Stability and Interaction with Halogens [Текст] / A.V. Bakulin, S.E. Kulkova, O.E. Tereshchenko
// Nanomaterials: Applications & Properties (NAP-2013) : 2-nd International conference, Alushta, the Crimea, September 17-22, 2012 / Edited by: A. Pogrebnjak. - Sumy : Sumy State University, 2013. - V.2, No1. - 01PCSI27
http://essuir.sumdu.edu.ua/handle/123456789/35317 |
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| Language |
en
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