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arxiv: cond-mat/0103499 · v2 · submitted 2001-03-23 · ❄️ cond-mat.mtrl-sci

Ferromagnetic instabilities in atomically-thin lithium and sodium wires

classification ❄️ cond-mat.mtrl-sci
keywords chainsdensityferromagneticgroundlithiumpredictedsodiumstate
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Using density functional theory the ground state structural, electronic, and magnetic properties of monatomic lithium and sodium chains with low average density are investigated. A metallic, zigzag ground state structure is predicted but, most interestingly, stable equilibria for chains under tension are predicted to be {\it ferromagnetic}, which can be traced to exchange effects arising from occupation of the second subband as a function of the interatomic distance.

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