Y. Li et al., ATOMIC POSITION AND ELECTRONIC FIELD GRADIENT OF FE DOPANT IN Y-124 SUPERCONDUCTOR, Journal of applied physics, 75(10), 1994, pp. 5233-5242
We attempt to provide a model calculation of the electric field gradie
nt. With reference to the observed Fe-57 Mossbauer hyperfine interacti
on parameters, the effective valence and electric field gradient on di
fferent Fe lattice sites have been computed for the Fe-doped Y-124 sup
erconductor by means of the point-charge-effective-valence model. Acco
rding to the present calculations, the sign of electric-field gradient
for the pyramid Fe(B') site and the quasioctahedral Fe(B) is estimate
d to be positive and negative, respectively, and furthermore Fe is fou
nd to be displaced relative to the CuO plane in Y-124 superconductors.