Abstract
The observed trends in Mössbauer isomer shifts of 119Sn, 121Sb, 125Te and 67Zn as constituents in covalent solids reflect the nature of the local chemical bond. A detailed analysis of these measurements is presented based on the crystalline electron densities which are calculated self-consistently and scalar relativistically with the first principles linear-muffin-tin-orbital method in the atomic-sphere-approximation. Quantitative comparisons with experimental data yield accurate and parameter-free calibrations of the Mössbauer transitions considered. The pressure variation of the 119Sn isomer shift in metallic tin is investigated through the 95 kbar structural phase transition. Finally, the contribution from the core electrons to the isomer shift is discussed.
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