Abstract
The currently accepted measured value for the hyperfine field at a Co impurity in Mo hosts is -2.6 T. Contrary to this value, in a previous work we have calculated the Fermi contact contribution to the hyperfine field at an isolated Co impurity in Mo hosts using the RS-LMTO-ASA scheme and we have found the value -8.9 T. In order to investigate if this discrepancy is due to the formation of small Co clusters in the measured sample, here we study, theoretically, the behaviour of local magnetic moments and hyperfine fields in three systems, representing different local configurations of Co atoms in Mo hosts: Co sites at Co dimmers; Co with a nearest neighbour vacancy; and a 9 Co atoms cluster. In all cases we use the RS-LMTO-ASA scheme. Our results suggest that the hyperfine fields at Co atoms in Mo can be very sensitive to the homogeneity of the alloy.
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