Silicene on metal and metallized surfaces: ab initio studies
The deposition of silicene on several metals is investigated. For fcc crystals the (111) surfaces while for hexagonal ones the (0001) surfaces are used. The Ca(111)1 × 1 substrate is found to be the most promising candidate. The silicene adsorption on Ca-functionalized Si(111)1 × 1 and 2 × 1 surface...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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IOP Publishing
2014-01-01
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| Series: | New Journal of Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/1367-2630/16/7/075004 |
| _version_ | 1827874088707686400 |
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| author | Paul Pflugradt Lars Matthes Friedhelm Bechstedt |
| author_facet | Paul Pflugradt Lars Matthes Friedhelm Bechstedt |
| author_sort | Paul Pflugradt |
| collection | DOAJ |
| description | The deposition of silicene on several metals is investigated. For fcc crystals the (111) surfaces while for hexagonal ones the (0001) surfaces are used. The Ca(111)1 × 1 substrate is found to be the most promising candidate. The silicene adsorption on Ca-functionalized Si(111)1 × 1 and 2 × 1 surfaces is also studied. The 1 × 1 substrates lead to overlayer silicene with hexagonal symmetry and Dirac cones. However, the Dirac points are below the Fermi level, and small energy gaps are opened. In the case of 2 × 1 surfaces, strong lattice relaxation occurs. Only rudiments of conical linear bands remain visible. |
| first_indexed | 2024-03-12T16:47:19Z |
| format | Article |
| id | doaj.art-2929d3013a54468ca5f8382bde57ed4d |
| institution | Directory Open Access Journal |
| issn | 1367-2630 |
| language | English |
| last_indexed | 2024-03-12T16:47:19Z |
| publishDate | 2014-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | New Journal of Physics |
| spelling | doaj.art-2929d3013a54468ca5f8382bde57ed4d2023-08-08T11:30:38ZengIOP PublishingNew Journal of Physics1367-26302014-01-0116707500410.1088/1367-2630/16/7/075004Silicene on metal and metallized surfaces: ab initio studiesPaul Pflugradt0Lars Matthes1Friedhelm Bechstedt2Institut für Festkörpertheorie und -optik, Friedrich-Schiller-Universität and European Theoretical Spectroscopy Facility (ETSF) , Max-Wien-Platz 1, D-07743 Jena, GermanyInstitut für Festkörpertheorie und -optik, Friedrich-Schiller-Universität and European Theoretical Spectroscopy Facility (ETSF) , Max-Wien-Platz 1, D-07743 Jena, GermanyInstitut für Festkörpertheorie und -optik, Friedrich-Schiller-Universität and European Theoretical Spectroscopy Facility (ETSF) , Max-Wien-Platz 1, D-07743 Jena, GermanyThe deposition of silicene on several metals is investigated. For fcc crystals the (111) surfaces while for hexagonal ones the (0001) surfaces are used. The Ca(111)1 × 1 substrate is found to be the most promising candidate. The silicene adsorption on Ca-functionalized Si(111)1 × 1 and 2 × 1 surfaces is also studied. The 1 × 1 substrates lead to overlayer silicene with hexagonal symmetry and Dirac cones. However, the Dirac points are below the Fermi level, and small energy gaps are opened. In the case of 2 × 1 surfaces, strong lattice relaxation occurs. Only rudiments of conical linear bands remain visible.https://doi.org/10.1088/1367-2630/16/7/075004silicenemetal substratecalciumDirac cone68.43.Bc73.20.Hb |
| spellingShingle | Paul Pflugradt Lars Matthes Friedhelm Bechstedt Silicene on metal and metallized surfaces: ab initio studies New Journal of Physics silicene metal substrate calcium Dirac cone 68.43.Bc 73.20.Hb |
| title | Silicene on metal and metallized surfaces: ab initio studies |
| title_full | Silicene on metal and metallized surfaces: ab initio studies |
| title_fullStr | Silicene on metal and metallized surfaces: ab initio studies |
| title_full_unstemmed | Silicene on metal and metallized surfaces: ab initio studies |
| title_short | Silicene on metal and metallized surfaces: ab initio studies |
| title_sort | silicene on metal and metallized surfaces ab initio studies |
| topic | silicene metal substrate calcium Dirac cone 68.43.Bc 73.20.Hb |
| url | https://doi.org/10.1088/1367-2630/16/7/075004 |
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