Coordination Dependence of Hyperfine Fields of 5sp Impurities on Ni Surfaces

Details Coordination Dependence of Hyperfine Fields of 5sp Impurities on Ni Surfaces Coordination Dependence of Hyperfine Fields of 5sp Impurities on Ni Surfaces

2003-07-02

arxiv.org/abs/cond-mat/0307052v1

Journal of Physics: Condensed Matter 15, 8115 (2003)

Physics

Condensed Matter

Materials Science

4 pages, 3 figures

Scientific paper

10.1088/0953-8984/15/47/014

We present first-principles calculations of the magnetic hyperfine fields H of 5sp impurities on the (001), (111), and (110) surfaces of Ni. We examine the dependence of H on the coordination number by placing the impurity in the surfaces, on top of them at the adatom positions, and in the bulk. We find a strong coordination dependence of H, different and characteristic for each impurity. The behavior is explained in terms of the on-site s-p hybridization as the symmetry is reduced at the surface. Our results are in agreement with recent experimental findings.

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