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Yang, Teng ; Okano, Shinya ; Berber, Savas ; Tomanek, David

Interplay between Structure and Magnetism in $Mo_{12}S_9I_9$ Nanowires

Yang, Teng, Okano, Shinya, Berber, Savas and Tomanek, David (2006) Interplay between Structure and Magnetism in $Mo_{12}S_9I_9$ Nanowires. Physical Review Letters 96, p. 125502.

Date of publication of this fulltext: 05 Aug 2009 13:32
Article


Abstract

We investigate the equilibrium geometry and electronic structure of $Mo_{12}S_{9} I_{9}$ nanowires using {\it ab initio} density functional calculations. The skeleton of these unusually stable nanowires consists of rigid, functionalized Mo octahedra, connected by flexible, bistable sulfur bridges. This structural flexibility translates into a capability to stretch up to ${\approx}$ 20% at almost ...

We investigate the equilibrium geometry and electronic structure of $Mo_{12}S_{9} I_{9}$ nanowires using {\it ab initio} density functional calculations. The skeleton of these unusually stable nanowires consists of rigid, functionalized Mo octahedra, connected by flexible, bistable sulfur bridges. This structural flexibility translates into a capability to stretch up to ${\approx}$ 20% at almost no energy cost. The nanowires change from conductors to narrow-gap magnetic semiconductors in one of their structural isomers.



Involved Institutions


    Details

    Item typeArticle
    Journal or Publication TitlePhysical Review Letters
    Volume:96
    Page Range:p. 125502
    Date2006
    InstitutionsUNSPECIFIED
    Projects
    Funded by: Bundesministerium für Bildung und Forschung (BMBF) (01IBC01D)
    Identification Number
    ValueType
    10.1103/PhysRevLett.96.125502DOI
    Dewey Decimal Classification500 Science > 530 Physics
    StatusPublished
    RefereedYes, this version has been refereed
    Created at the University of RegensburgYes
    Item ID1746

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