Abstract
Non-collinear magnetic moments are calculated for trigonal bipyramid clusters, V 5 , Cr 5 , Mn 5 , Fe 5 , Co 5 , and Ni 5 by a simple method employing the locality of the local spin-density functional approximation and the discrete variational scheme. We discuss the magnetic properties of the transition-metal clusters with the bond lengths of 80%–100% of the crystalline interatomic distance. Parallel magnetic moments appear for the Ni, Co, and Fe clusters with almost all the bond lengths. Tilting magnetic moments also appear for the Co and Fe clusters in a certain bond length. Non-collinear magnetic arrangements appear for the Mn and Cr clusters, which change to antiparallel arrangements with decreasing bond length. Only an antiparallel alignment appears for the V cluster.
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