THEORETICAL STUDY ON MГ–SSBAUER ISOMER SHIFT OF LAYERED COMPOUNDS
L. Gao, Y. Xu, N. Qu, F. Gao
Keywords: M?ssbauer isomer shift, chemical bond parameters, layered structure
Pages: 699-704
Abstract
Using the expended chemical bond dielectric theory of complex crystals, we have calculated chemical bond parameters and Mössbauer isomer shift of LnOFeAs as well as AFe2As2 which had been chosen due to their layered structures. Results are in good agreement with available experimental data, demonstrating the accuracy of our calculations and theories. The relationship between chemical bond parameters and Mössbauer isomer shift is discussed.
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