Experimental and theoretical investigations of the Knight shift of Pd and Ag in the alloy system Ag x Pd1−x
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The Knight shift of Pd in Ag x Pd1−x has been determined for concentrationsx≦0.2. In full accordance with the expectations based on the behaviour of the magnetic susceptibility, it was found that the Knight shift of Pd is rapidly reduced in magnitude by adding Ag to Pd. To allow for a detailed interpretation of this finding, we have performed Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) band structure calculations for Ag x Pd1−x. These calculations clearly demonstrate that the decrease in spin susceptibility with increasingx is accompanied with a decrease in core polarization. In contrast to Pd, the negative Knight shift of Ag on the Pd-rich side of the system is caused by the valence band contribution, as it is demonstrated by our calculations. This is caused by an intersite effect in analogy to the transferred hyperfine field found for non-magnetic elements dissolved in a magnetic host.
KeywordsHyperfine Field Band Structure Calculation Knight Shift Coherent Potential Approximation Fermi Contact
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