Magnetically hindered chain formation in transition-metal break junctions.
Based on first-principles calculations, we demonstrate that magnetism impedes the formation of long chains in break junctions. We find a distinct softening of the binding energy of atomic chains due to the creation of magnetic moments that crucially reduces the probability of successful chain formation. Thereby, we are able to explain the long standing puzzle why most of the transition metals do not assemble as long chains in break junctions and thus provide indirect evidence that in general suspended atomic chains in transition-metal break junctions are magnetic.
Thiess
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A
Institut für Festkörperforschung and Institute for Advanced Simulation, Forschungszentrum Jülich, D-52425 Jülich, Germany. a.thiess@fz-juelich.de
Mokrousov
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Y
Heinze
S
S
Blügel
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S