Ab-initio study of new Ga-rich GaAs(001) surface (4 × 4) reconstruction

A.V. Bakulin, S.E. Kulkova, S.V. Eremeev, O.E. Tereshchenko

Результат исследований: Научные публикации в периодических изданияхстатья

4 Цитирования (Scopus)

Выдержка

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
Язык оригиналане определен
Страницы (с-по)97-102
ЖурналSurface Science
Том615
СостояниеОпубликовано - 2013
Опубликовано для внешнего пользованияДа

Цитировать

Bakulin, A. V., Kulkova, S. E., Eremeev, S. V., & Tereshchenko, O. E. (2013). Ab-initio study of new Ga-rich GaAs(001) surface (4 × 4) reconstruction. Surface Science, 615, 97-102.
Bakulin, A.V. ; Kulkova, S.E. ; Eremeev, S.V. ; Tereshchenko, O.E. / Ab-initio study of new Ga-rich GaAs(001) surface (4 × 4) reconstruction. В: Surface Science. 2013 ; Том 615. стр. 97-102.
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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 (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",
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Bakulin, AV, Kulkova, SE, Eremeev, SV & Tereshchenko, OE 2013, 'Ab-initio study of new Ga-rich GaAs(001) surface (4 × 4) reconstruction', Surface Science, том. 615, стр. 97-102.

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.

В: Surface Science, Том 615, 2013, стр. 97-102.

Результат исследований: Научные публикации в периодических изданияхстатья

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 -

Bakulin AV, Kulkova SE, Eremeev SV, Tereshchenko OE. Ab-initio study of new Ga-rich GaAs(001) surface (4 × 4) reconstruction. Surface Science. 2013;615:97-102.