Hyperfine fields in the BaFe2As2 family and their relation to the magnetic moment

Abstract

The hyperfine field $B_\text{hf}$ and the magnetic properties of the BaFe$_2$As$_2$ family are studied using the fully relativistic Dirac formalism for different types of substitution. The study covers electron doped Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ and Ba(Fe$_{1-x}$Ni$_x$)$_2$As$_2$, hole doped (Ba$_{1-x}$K$_x$)Fe$_2$As$_2$ and also isovalently doped Ba(Fe$_{1-x}$Ru$_x$)$_2$As$_2$ and BaFe$_2$(As$_{1-x}$P$_x$)$_2$ for a wide range of the concentration $x$. For the substituted compounds the hyperfine fields show a very strong dependence on the dopant type and its concentration $x$. Relativistic contributions were found to have a significantly stronger impact for the iron pnictides when compared to bulk Fe. As an important finding, we demonstrate that it is not sensible to relate the hyperfine field $B_\text{hf}$ to the average magnetic moment $\mu$ of the compound, as it was done in earlier literature.