(2×2) Reconstructions of the {111} Polar Surfaces of GaAs

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(2×2) Reconstructions of the {111} Polar Surfaces of GaAs

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Title: (2×2) Reconstructions of the {111} Polar Surfaces of GaAs
Author: Kaxiras, Efthimios; Pandey, K.C.; Bar-Yam, Yaneer; Joannopoulos, John D.

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Citation: Kaxiras, Efthimios, Yaneer Bar-Yam, John D. Joannopoulos, and K.C. Pandey. 1986. (2x2) reconstructions of the {111} polar surfaces of GaAs. Physical Review B 32(6): 4406-4409.
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Abstract: Ab initio total-energy calculations were used to examine (2×2) reconstruction models for the (111) and (1¯1¯1¯) surfaces of GaAs. For the (111) surface the lowest-energy Ga-vacancy geometry is determined; several mechanisms for Ga-vacancy formation are examined and other reconstructions are discussed. For the (1¯1¯1¯) surface it is shown that the As-vacancy model is unlikely and other geometries are considered.
Published Version: http://dx.doi.org/10.1103/PhysRevB.33.4406
Terms of Use: This article is made available under the terms and conditions applicable to Other Posted Material, as set forth at http://nrs.harvard.edu/urn-3:HUL.InstRepos:dash.current.terms-of-use#LAA
Citable link to this page: http://nrs.harvard.edu/urn-3:HUL.InstRepos:2966793
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