(2×2) reconstructions of the {111} polar surfaces of GaAs
- 15 March 1986
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 33 (6) , 4406-4409
- https://doi.org/10.1103/physrevb.33.4406
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.Keywords
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