Abstract
This work reviews the basics of the theoretical determination of the hyperfine interactions. Starting from the Dirac equation the relevant expressions for the isomer shift, the hyperfine field and the electric field gradient are derived. In the second part examples from band structure calculations are given for Fe4N as a prototypical system where all features of the pressure dependence of the hyperfine interactions can be demonstrated.
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Mohn, P. Theoretical aspects of hyperfine interactions. Hyperfine Interactions 128, 67–78 (2000). https://doi.org/10.1023/A:1012619212656
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DOI: https://doi.org/10.1023/A:1012619212656