# NUCLEAR ELECTRIC FIELD GRADIENT OF THE IRON SITES IN FeS2 PYRITE

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Abstract : The electric field gradient tensor parameters were calculated for the four equivalent, but differently orientated sites of Fe in each unit cell of pyrite. It is found that the EFG z-axes for the sites at 0, 0, 0, 1-2, 1-2, 0, 1-2, 0, 1-2 and 0, 1-2, 1-2 are respectively in the directions MATH + MATH + MATH - MATH + MATH + MATH, MATH + MATH - MATH and MATH - MATH + MATH, the asymmetry parameter η being zero in all cases. If the recoil free fraction is isotropic, then the area ratio a3-a1, of the Mössbauer absorption spectra for a single crystal absorber will be independent of its orientation and always equals to unity.

Author: ** Yehan Liu **

Source: https://hal.archives-ouvertes.fr/