Abstract
We report experimental and theoretical studies on the magnetic moment and hyperfinefield of Cu impurity in an antiferromagnetic Cr host. Employing time-differentialperturbed angular distribution (TDPAD) spectroscopy, the saturation hyperfine field,Bhf(0), of62Cu has beenfound to be −4.2 T. From the temperature dependence of the hyperfine field measured in the range 35–350 K we findan indication of paramagnetic short-range spin correlation revealed by the observation of a largeBhf aboveTN. Ourab initio calculations using density functional theory (DFT) show a small induced magnetic moment of≈0.18 μB and a net hyperfinefield of −7.4 T at the Cusite. The theoretical Bhf value agrees with the experimental observation when scaled by the ratioR = μCr(exp)/μCr(calc) between the measured and calculated magnetic moments of Cr.
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