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The EFG at sp-impurities in Zn and Cd—a new (final?) look

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Abstract

The electric field gradients (EFG) at the impurities Ni–Kr and Pd–Xe in the hcp metals Zn and Cd were calculated with the density functional code WIEN2k. Supercells with up to 150 atoms were used, resulting in a very good description of the available experimental data. Typical errors are 5–10%, with exceptions for Ag and Sb in Zn and for I in Zn and Cd, where a remeasurement is urged. The previously proposed systematic trend with positive EFG values for the first five impurity elements in every series and negative ones for the last three is confirmed.

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Authors and Affiliations

  1. Instituto Tecnológico e Nuclear, Estrada Nacional 10, 2685, Sacavém, Portugal

    H. Haas & J. G. Correia

  2. CERN/PH-IS, 1211, Geneve-23, Switzerland

    H. Haas & J. G. Correia

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  1. H. Haas
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  2. J. G. Correia
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Correspondence to H. Haas.

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Haas, H., Correia, J.G. The EFG at sp-impurities in Zn and Cd—a new (final?) look. Hyperfine Interact 197, 11–15 (2010). https://doi.org/10.1007/s10751-010-0212-5

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