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Stability of monoatomic nanowires: a first-principles study
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
2011 (English)Independent thesis Basic level (professional degree), 20 credits / 30 HE creditsStudent thesisAlternative title
Ab initio studie av nanotrådars stabilitet (Swedish)
Abstract [en]

Monoatomic chain formation for Ag, Au, Pd and Pt has been investigated using a model for the tip structure. First-principles calculations, mostly spin polarized, were performed within the framework of the Density Functional theory. Results are presented and discussed on the basis of the electronic structure. Tendencies for chain formation were noted for Ag, Au and Pt.

Place, publisher, year, edition, pages
2011. , 46 p.
Keyword [en]
Density functional theory, Nanowires, Tip, Breaking, Equilibrium, Ag, Au, Pd, Pt, LDA, PBE, PW91
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:liu:diva-68764ISRN: LITH-IFM-A-EX-11/2496--SEOAI: oai:DiVA.org:liu-68764DiVA: diva2:426516
Subject / course
Theoretical Physics
Uppsok
Physics, Chemistry, Mathematics
Supervisors
Examiners
Available from: 2011-06-23 Created: 2011-06-06 Last updated: 2011-06-27Bibliographically approved

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fulltext(737 kB)192 downloads
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