Abstract
| Original language | Undefined |
|---|---|
| Pages (from-to) | 97-102 |
| Journal | Surface Science |
| Volume | 615 |
| Publication status | Published - 2013 |
| Externally published | Yes |
Cite this
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Ab-initio study of new Ga-rich GaAs(001) surface (4 × 4) reconstruction. / Bakulin, A.V.; Kulkova, S.E.; Eremeev, S.V.; Tereshchenko, O.E.
In: Surface Science, Vol. 615, 2013, p. 97-102.Research output
TY - JOUR
T1 - Ab-initio study of new Ga-rich GaAs(001) surface (4 × 4) reconstruction
AU - Bakulin, A.V.
AU - Kulkova, S.E.
AU - Eremeev, S.V.
AU - Tereshchenko, O.E.
PY - 2013
Y1 - 2013
N2 - 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 (2 × 4) mixed-dimer model developed for InP(001)-(2 × 4) surface was adopted for Ga-rich GaAs(001)-(2 × 4) surface. It is shown that the energetically favored Ga-rich (2 × 4) reconstructions are stabilized by dimerized Ga and As atoms. Our DFT calculations predict the coexistence of (2 × 4) and (4 × 4) reconstructions on GaAs(001) in the Ga-rich limit
AB - 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 (2 × 4) mixed-dimer model developed for InP(001)-(2 × 4) surface was adopted for Ga-rich GaAs(001)-(2 × 4) surface. It is shown that the energetically favored Ga-rich (2 × 4) reconstructions are stabilized by dimerized Ga and As atoms. Our DFT calculations predict the coexistence of (2 × 4) and (4 × 4) reconstructions on GaAs(001) in the Ga-rich limit
M3 - статья
VL - 615
SP - 97
EP - 102
JO - Surface Science
JF - Surface Science
SN - 0039-6028
ER -