| Phonons in bulk CdSe and CdSe nanowires. | |
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MedLine Citation:
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PMID: 19420455 Owner: NLM Status: PubMed-not-MEDLINE |
Abstract/OtherAbstract:
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We present first-principles calculations for bulk CdSe and CdSe nanowires with diameters of up to 22 A. Their electronic and structural properties are presented and discussed. The vibrational properties of bulk CdSe and the zone-center vibrations of the nanowires are calculated and analyzed. An iterative, symmetry-based relaxation method is used that yields improved results for phonon frequencies. We find that the band gap varies with the surface termination and that strongly size-dependent and nearly constant vibrational modes exist in the nanowires, depending on the displacement directions. A strong shift in frequency for specific modes is found, stemming from surface contributions to the polarization, similar to that reported for thin slabs. A comparison with experimental data from Raman measurements is given. |
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Authors:
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Marcel Mohr; Christian Thomsen |
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Publication Detail:
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Type: Journal Article Date: 2009-02-25 |
Journal Detail:
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Title: Nanotechnology Volume: 20 ISSN: 1361-6528 ISO Abbreviation: Nanotechnology Publication Date: 2009 Mar |
Date Detail:
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Created Date: 2009-05-07 Completed Date: 2009-06-22 Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 101241272 Medline TA: Nanotechnology Country: England |
Other Details:
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Languages: eng Pagination: 115707 Citation Subset: - |
Affiliation:
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Institut für Festkörperphysik, Technische Universität Berlin, Berlin, Germany. marcel@physik.tu-berlin.de |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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