Electronic structures and lZISb isomer shifts of covalent crystals containing Sb as a component

Abstract. The electronic structures of crystalline AISb, GaSb, InSb, SnSb, and Sb metal are calculated self-consistently using the linear muffin-tin-orbital method in the scalar-relativistic and atomic-sphere approximations. The valence electron density on the nuclear site is calculated and compared with experimental values for the isomer shifts. The trends observed are well understood in terms of the nature of the local chemical bond in these materials. The value for the relative change in nuclear radius for the I2'Sb Mossbauer transition of A R / R = (-10.4 t 1.0) x lO-'is derived. 1