Local magnetic properties of Co grains in bulk Ag and Cu: A first-principles study

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Abstract
Here we use the real space–linear muffin-tin orbital–atomic sphere approximation method to perform a systematic study of the site and grain size dependence of local magnetic moments and hyperfine fields at Co grains (up to 135 atoms) in fcc Ag and Cu hosts. We found a very stable value for the local moment at Co atoms in Ag hosts, whereas the average local moment for Co grains in Cu tends to be slightly larger for larger grains. We show that free and embedded Co clusters have very different magnetic behavior. The Co hyperfine fields present similar values in both matrices and exhibit a systematic site dependence.