Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5422477 | Surface Science | 2013 | 6 Pages |
Abstract
Atomic and electronic structures for a number of GaAs(001) surface geometries were studied within the density functional theory (DFT) in order to re-examine the energy stability of surface reconstructions in the Ga-rich limit. The (2Â ÃÂ 4) mixed-dimer model developed for InP(001)-(2Â ÃÂ 4) surface was adopted for Ga-rich GaAs(001)-(2Â ÃÂ 4) surface. It is shown that the energetically favored Ga-rich (2Â ÃÂ 4) reconstructions are stabilized by dimerized Ga and As atoms. Our DFT calculations predict the coexistence of (2Â ÃÂ 4) and (4Â ÃÂ 4) reconstructions on GaAs(001) in the Ga-rich limit.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
A.V. Bakulin, S.E. Kulkova, S.V. Eremeev, O.E. Tereshchenko,