Stability of monoatomic nanowires: a first-principles study
Independent thesis Basic level (professional degree), 20 credits / 30 HE creditsStudent thesisAlternative title
Ab initio studie av nanotrådars stabilitet (Swedish)
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.
Density functional theory, Nanowires, Tip, Breaking, Equilibrium, Ag, Au, Pd, Pt, LDA, PBE, PW91
Condensed Matter Physics
IdentifiersURN: urn:nbn:se:liu:diva-68764ISRN: LITH-IFM-A-EX-11/2496--SEOAI: oai:DiVA.org:liu-68764DiVA: diva2:426516
Subject / course
UppsokPhysics, Chemistry, Mathematics
Sergei, Simak, Universitetslektor
Sergei, Simak, Universitetslektoror