Spin polarised ultra-thin metallic films

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Abstract
Results of self-consistent band structure calculations on unsupported single-layer films of Fe, Co, Ni and Pd are presented. The calculations are based on one-particle equations where exchange and correlation effects are accounted for by the spin-dependent local-density potential suggested by von Barth and Hedin (1972). The one-particle states and the associated band structure are determined by applying the recently developed linear rigorous cellular method. After minor rearrangements this method readily provides comparative data on the bulk materials as well. The results arrived at clearly demonstrate the fact that spin polarisation in single layers of ferromagnetic materials is generally larger than in the bulk. The associated magnetic moment per atom lies between the value of the respective free atom and that of the bulk.