Rotation of Ge ad-dimers on Ge(001)

T.V. Afanasieva; I.F. Koval; N.G. Nakhodkin; M.Yu Pyatnitsky; Henricus J.W. Zandvliet

doi:10.1016/S0039-6028(01)00805-6

Rotation of Ge ad-dimers on Ge(001)

T.V. Afanasieva, I.F. Koval, N.G. Nakhodkin, M.Yu Pyatnitsky, Henricus J.W. Zandvliet

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Abstract

Structural calculations of the Ge ad-dimer rotation on Ge(0 0 1)-2×1 and Ge(0 0 1)-c(4×2) surfaces were performed by ab initio and semiempirical methods. Besides the two (already known) stable adsorption sites on top of the substrate dimer rows (angles between substrate dimer bond and ad-dimer bond are 0° and 90°, respectively) a new local minimum was found. The angle between the substrate dimer bond and the ad-dimer of this local minimum is about 45°. This theoretical result might explain the observation of the so-called A/B Ge ad-dimers on Ge(0 0 1).

Original language	Undefined
Pages (from-to)	702-707
Number of pages	6
Journal	Surface science
Volume	482-485
Issue number	1
DOIs	https://doi.org/10.1016/S0039-6028(01)00805-6
Publication status	Published - 2001

Keywords

IR-73136
METIS-202310

Access to Document

10.1016/S0039-6028(01)00805-6

Cite this

@article{76384f4e994141acb19125a748613694,

title = "Rotation of Ge ad-dimers on Ge(001)",

abstract = "Structural calculations of the Ge ad-dimer rotation on Ge(0 0 1)-2×1 and Ge(0 0 1)-c(4×2) surfaces were performed by ab initio and semiempirical methods. Besides the two (already known) stable adsorption sites on top of the substrate dimer rows (angles between substrate dimer bond and ad-dimer bond are 0° and 90°, respectively) a new local minimum was found. The angle between the substrate dimer bond and the ad-dimer of this local minimum is about 45°. This theoretical result might explain the observation of the so-called A/B Ge ad-dimers on Ge(0 0 1).",

keywords = "IR-73136, METIS-202310",

author = "T.V. Afanasieva and I.F. Koval and N.G. Nakhodkin and M.Yu Pyatnitsky and Zandvliet, {Henricus J.W.}",

year = "2001",

doi = "10.1016/S0039-6028(01)00805-6",

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volume = "482-485",

pages = "702--707",

journal = "Surface science",

issn = "0039-6028",

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TY - JOUR

T1 - Rotation of Ge ad-dimers on Ge(001)

AU - Afanasieva, T.V.

AU - Koval, I.F.

AU - Nakhodkin, N.G.

AU - Pyatnitsky, M.Yu

AU - Zandvliet, Henricus J.W.

PY - 2001

Y1 - 2001

N2 - Structural calculations of the Ge ad-dimer rotation on Ge(0 0 1)-2×1 and Ge(0 0 1)-c(4×2) surfaces were performed by ab initio and semiempirical methods. Besides the two (already known) stable adsorption sites on top of the substrate dimer rows (angles between substrate dimer bond and ad-dimer bond are 0° and 90°, respectively) a new local minimum was found. The angle between the substrate dimer bond and the ad-dimer of this local minimum is about 45°. This theoretical result might explain the observation of the so-called A/B Ge ad-dimers on Ge(0 0 1).

AB - Structural calculations of the Ge ad-dimer rotation on Ge(0 0 1)-2×1 and Ge(0 0 1)-c(4×2) surfaces were performed by ab initio and semiempirical methods. Besides the two (already known) stable adsorption sites on top of the substrate dimer rows (angles between substrate dimer bond and ad-dimer bond are 0° and 90°, respectively) a new local minimum was found. The angle between the substrate dimer bond and the ad-dimer of this local minimum is about 45°. This theoretical result might explain the observation of the so-called A/B Ge ad-dimers on Ge(0 0 1).

KW - IR-73136

KW - METIS-202310

U2 - 10.1016/S0039-6028(01)00805-6

DO - 10.1016/S0039-6028(01)00805-6

M3 - Article

SN - 0039-6028

VL - 482-485

SP - 702

EP - 707

JO - Surface science

JF - Surface science

IS - 1

ER -