Ferromagnetic instabilities in atomically-thin lithium and sodium wires
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❄️ 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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