Magnetically hindered chain formation in transition-metal break junctions

Phys Rev Lett. 2009 Nov 20;103(21):217201. doi: 10.1103/PhysRevLett.103.217201. Epub 2009 Nov 16.

Abstract

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.