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Charge shift model for calculation of electric field gradient in tetragonal closed packed metals

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Abstract

The electronic charge distribution in tetragonal closed packed (tcp) metal is approximated by a collection of spherical charge clouds situated midway between the ions. The anisotropy of the charge distribution is parameterized in terms of a charge shift δ derivable from the lattice parameters and the elastic coefficients of the metal. The electric field gradient (EFG) in the metal can be obtained through lattice summations over the charges. Numerical calculations are made to obtain the EFG in pure indium and indium-based dilute impurity alloys. Fairly good agreement with the experiments is achieved.

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Verma, H.C., Kumar, B., Rai, B.C. et al. Charge shift model for calculation of electric field gradient in tetragonal closed packed metals. Hyperfine Interact 52, 97–106 (1989). https://doi.org/10.1007/BF02609549

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  • DOI: https://doi.org/10.1007/BF02609549

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