Ge(001) surface reconstruction with Sn impurities
| Autor: | Katharina Noatschk, Thomas Schroeder, Götz Seibold, Emily V.S. Hofmann, J. Dabrowski, Neil J. Curson, Wolfgang M. Klesse |
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| Rok vydání: | 2021 |
| Předmět: |
Phase transition
Materials science chemistry.chemical_element Surfaces and Interfaces Substrate (electronics) Condensed Matter Physics Molecular physics Surfaces Coatings and Films chemistry Impurity Condensed Matter::Superconductivity Materials Chemistry First principle Density functional theory Surface layer Tin Surface reconstruction |
| Zdroj: | Surface Science. 713:121912 |
| ISSN: | 0039-6028 |
| Popis: | Defects play an important role for surface reconstructions and therefore also influence the substrate growth. In this work we present a first principle calculation for the Ge(001) surface without and with tin impurities incorporated into the top surface layer. By mapping the system onto an Ising-type model, with interaction constants taken from density functional theory, the stability of the surface reconstructions under the influence of different concentrations of tin impurities is explored. This approach allows us to simulate the possible phase transitions for the different surface reconstructions including the local structure around the tin impurity atoms. In addition, we compare our theoretical results with experimental STM images on clean and Sn-doped Ge(100) surfaces. |
| Databáze: | OpenAIRE |
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