Electronic properties for small tin clusters Sn(n) (n < or = 20) from density functional theory and the convergence toward the solid state
2009 Wiley Periodicals, Inc.
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 31(2010), 5 vom: 15. Apr., Seite 929-37 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2010
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article |
| Zusammenfassung: | 2009 Wiley Periodicals, Inc. Global minimum structures of neutral tin clusters with up to 20 atoms obtained recently from genetic algorithm simulations within a density-functional approach (Schäfer et al., J Phys Chem A 2008, 112, 12312) were used to evaluate the corresponding electronic properties. The evolution of these properties with increasing cluster size is discussed in detail and compared with the lighter silicon and germanium clusters. We also discuss the extrapolation of these properties to the bulk limit |
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| Beschreibung: | Date Completed 02.06.2010 Date Revised 17.02.2010 published: Print Citation Status PubMed-not-MEDLINE |
| ISSN: | 1096-987X |
| DOI: | 10.1002/jcc.21381 |