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Two-dimensional metallicity with a large spin-orbit splitting: DFT calculations of the atomic, electronic, and spin structures of the Au/Ge(111)-(√3 x √3)R30° surface

Please always quote using this URN: urn:nbn:de:bvb:20-opus-149221
  • 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 LDADensity 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 Bi\(_{2}\)Te\(_{3}\). These properties make this system particularly interesting from both fundamental and technological points of view.show moreshow less

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Metadaten
Author: Andrzej Fleszar, Werner Hanke
URN:urn:nbn:de:bvb:20-opus-149221
Document Type:Journal article
Faculties:Fakultät für Physik und Astronomie / Institut für Theoretische Physik und Astrophysik
Language:English
Parent Title (English):Advances in Condensed Matter Physics
Year of Completion:2015
Volume:2015
Issue:531498
Source:Advances in Condensed Matter Physics Volume 2015, Article ID 531498 (2015). DOI: 10.1155/2015/531498
DOI:https://doi.org/10.1155/2015/531498
Dewey Decimal Classification:6 Technik, Medizin, angewandte Wissenschaften / 61 Medizin und Gesundheit / 610 Medizin und Gesundheit
Tag:Au/Ge(111); conjugated honeycomb-chained-trimer; density functional theory; gas; spin structures; topological insulators
Release Date:2018/11/27
Licence (German):License LogoCC BY: Creative-Commons-Lizenz: Namensnennung