Two-Dimensional Metallicity with a Large Spin-Orbit Splitting: DFT Calculations of the Atomic, Electronic, and Spin Structures of the Au/Ge(111)-(3×3)R30° Surface

Two-Dimensional Metallicity with a Large Spin-Orbit Splitting: DFT Calculations of the Atomic, Electronic, and Spin Structures of the Au/Ge(111)-(3×3)R30° Surface

Density functional theory (DFT) is applied to study the atomic, electronic, and spin structures of the Au monolayer at the Ge(111) surface. It is found that the theoretically determined most stable atomic geometry is described by the conjugated honeycomb-chained-trimer (CHCT) model, in a very good a...

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Main Authors: Andrzej Fleszar, Werner Hanke
Format: Article
Language:English
Published: Hindawi Limited 2015-01-01
Series:Advances in Condensed Matter Physics
Online Access:http://dx.doi.org/10.1155/2015/531498
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spelling doaj-bd45074d29f645f7826a7fa82de24e622020-11-24T22:43:33ZengHindawi LimitedAdvances in Condensed Matter Physics1687-81081687-81242015-01-01201510.1155/2015/531498531498Two-Dimensional Metallicity with a Large Spin-Orbit Splitting: DFT Calculations of the Atomic, Electronic, and Spin Structures of the Au/Ge(111)-(3×3)R30° SurfaceAndrzej Fleszar0Werner Hanke1Institut für Theoretische Physik und Astrophysik, Universität Würzburg, Am Hubland, 97074 Würzburg, GermanyInstitut für Theoretische Physik und Astrophysik, Universität Würzburg, Am Hubland, 97074 Würzburg, GermanyDensity functional theory (DFT) is applied to study the atomic, electronic, and spin structures of the Au monolayer at the Ge(111) surface. It is found that the theoretically determined most stable atomic geometry is described by the conjugated honeycomb-chained-trimer (CHCT) model, in a very good agreement with experimental data. The calculated electronic structure of the system, being in qualitatively good agreement with the photoemission measurements, shows fingerprints of the many-body effects (self-interaction corrections) beyond the LDA or GGA approximations. The most interesting property of this surface system is the large spin splitting of its metallic surface bands and the undulating spin texture along the hexagonal Fermi contours, which highly resembles the spin texture at the Dirac state of the topological insulator Bi2Te3. These properties make this system particularly interesting from both fundamental and technological points of view.http://dx.doi.org/10.1155/2015/531498
collection DOAJ
language English
format Article
sources DOAJ
author Andrzej Fleszar
Werner Hanke
spellingShingle Andrzej Fleszar
Werner Hanke
Two-Dimensional Metallicity with a Large Spin-Orbit Splitting: DFT Calculations of the Atomic, Electronic, and Spin Structures of the Au/Ge(111)-(3×3)R30° Surface
Advances in Condensed Matter Physics
author_facet Andrzej Fleszar
Werner Hanke
author_sort Andrzej Fleszar
title Two-Dimensional Metallicity with a Large Spin-Orbit Splitting: DFT Calculations of the Atomic, Electronic, and Spin Structures of the Au/Ge(111)-(3×3)R30° Surface
title_short Two-Dimensional Metallicity with a Large Spin-Orbit Splitting: DFT Calculations of the Atomic, Electronic, and Spin Structures of the Au/Ge(111)-(3×3)R30° Surface
title_full Two-Dimensional Metallicity with a Large Spin-Orbit Splitting: DFT Calculations of the Atomic, Electronic, and Spin Structures of the Au/Ge(111)-(3×3)R30° Surface
title_fullStr Two-Dimensional Metallicity with a Large Spin-Orbit Splitting: DFT Calculations of the Atomic, Electronic, and Spin Structures of the Au/Ge(111)-(3×3)R30° Surface
title_full_unstemmed Two-Dimensional Metallicity with a Large Spin-Orbit Splitting: DFT Calculations of the Atomic, Electronic, and Spin Structures of the Au/Ge(111)-(3×3)R30° Surface
title_sort two-dimensional metallicity with a large spin-orbit splitting: dft calculations of the atomic, electronic, and spin structures of the au/ge(111)-(3×3)r30° surface
publisher Hindawi Limited
series Advances in Condensed Matter Physics
issn 1687-8108
1687-8124
publishDate 2015-01-01
description Density functional theory (DFT) is applied to study the atomic, electronic, and spin structures of the Au monolayer at the Ge(111) surface. It is found that the theoretically determined most stable atomic geometry is described by the conjugated honeycomb-chained-trimer (CHCT) model, in a very good agreement with experimental data. The calculated electronic structure of the system, being in qualitatively good agreement with the photoemission measurements, shows fingerprints of the many-body effects (self-interaction corrections) beyond the LDA or GGA approximations. The most interesting property of this surface system is the large spin splitting of its metallic surface bands and the undulating spin texture along the hexagonal Fermi contours, which highly resembles the spin texture at the Dirac state of the topological insulator Bi2Te3. These properties make this system particularly interesting from both fundamental and technological points of view.
url http://dx.doi.org/10.1155/2015/531498
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AT wernerhanke twodimensionalmetallicitywithalargespinorbitsplittingdftcalculationsoftheatomicelectronicandspinstructuresoftheauge11133r30surface
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