Charge distribution and covalency effects on mössbauer parameters in KFeS 2

Abstract

In this paper we report the effects of covalency on the Mössbauer Hyperfine parameters in KFeS 2. We emphasize the use of simple bonding schemes and models based on isomer shift calibration, point charge calculations and electronegativity differences in order to determine the ionic character of the atoms in the crystal. The previous Mossbauer spectroscopic work is also extended to liquid nitrogen temperature and it has been shown how the simple concept of electronegativity difference can also account for the order of magnitude of the measured saturation value of magnetic field.