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We investigate the equilibrium geometry and electronic structure ofMo$_{12}$S$_{9}$I$_{9}$ nanowires using ab initio Density Functionalcalculations. The skeleton of these unusually stable nanowires consists ofrigid, functionalized Mo octahedra, connected by flexible, bi-stable sulphurbridges. This structural flexibility translates into a capability to stretch upto approximate 20% at almost no energy cost. The nanowires change fromconductors to narrow-gap magnetic semiconductors in one of their structuralisomers.Comment: 4 pages with PRL standards and 3 figure

physical review letters

Interplay between Structure and Magnetism in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>Mo</mml:mi><mml:mn>12</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">S</mml:mi><mml:mn>9</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">I</mml:mi><mml:mn>9</mml:mn></mml:msub></mml:math>Nanowires

Interplay between Structure and Magnetism inMo12S9I9Nanowires