Origin of the anomalous Slater-Pauling curve in cobalt-manganese alloy clusters

Details Origin of the anomalous Slater-Pauling curve in cobalt-manganese alloy clusters Origin of the anomalous Slater-Pauling curve in cobalt-manganese alloy clusters

2009-08-17

arxiv.org/abs/0908.2358v1

Physical Review B 80, 075412 (2009)

Physics

Atomic and Molecular Clusters

8 pages, 7 figures and 4 tables

Scientific paper

10.1103/PhysRevB.80.075412

Surprising enhancement of the magnetic moments recently observed in dilute Co-Mn alloy clusters is explained using ab initio electronic structure calculations. The calculated magnetic moments generally agree with the reported experimental data. An equation for calculating the magnetic moments of the Co-Mn alloy clusters has been derived to correct the deviations predicted by the rigid-band model and the virtual bound states approximation. A strategy is proposed to obtain the ground-state structures of the Co-Mn clusters and it was also put to the test of the experiment.

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