Abstract
Using the first-principles real-space linear muffin-tin orbital method within the atomicsphere approximation (RS-LMTO-ASA) we study hyperfine and local magnetic propertiesof substituted pure Fe and Fe–Cu clusters in an fcc Cu matrix. Spin and orbitalcontributions to magnetic moments, hyperfine fields and the Mössbauer isomer shifts at theFe sites in Fe precipitates and Fe–Cu alloy clusters of sizes up to 60 Fe atoms embedded inthe Cu matrix are calculated and the influence of the local environment on these propertiesis discussed.
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