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Interplay between Structure and Magnetism in
Nanowires
Yang, Teng, Okano, Shinya, Berber, Savas and Tomanek, David
(2006)
Interplay between Structure and Magnetism in 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 nanowires using {
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
20% at almost no energy cost. The nanowires change from conductors to narrow-gap magnetic semiconductors in one of their structural isomers.
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Details
| Item type | Article | ||||
| Journal or Publication Title | Physical Review Letters | ||||
| Volume: | 96 | ||||
|---|---|---|---|---|---|
| Page Range: | p. 125502 | ||||
| Date | 2006 | ||||
| Institutions | UNSPECIFIED | ||||
| Projects |
Funded by:
Bundesministerium für Bildung und Forschung (BMBF)
(01IBC01D)
| ||||
| Identification Number |
| ||||
| Dewey Decimal Classification | 500 Science > 530 Physics | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| Item ID | 1746 |
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