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77-30569/342193 Ab initio calculations of the electronic structure of Pd-Mn and Cu-Mn spin glasses: manganese clusters and a giant magnetic moment
Engineering Education # 03, March 2012
In the framework of the density functional theory ab initio calculations of free energy at 0 K, electron density and magnetic moments were performed for Pd-Mn and Cu-Mn spin glasses. It was assumed, clusters consisting of two, three or four Mn ions existed in solid solution thus forming dumbbells, triangles or tetrahedrons respectively. Clusters stabilize solid solutions in all cases, while the magnitude of the magnetic moment is dependent on the cluster structure. In Pd-Mn solutions the highest value of the giant magnetic moment per Mn ion (7,2 Bohr magnetons) corresponds to Mn tetrahedron with the sequences of Mn-Pd-Pd-Mn as the tetrahedron edges. In Cu-Mn solutions the highest value of the giant magnetic moment (4,2 Bohr magnetons) corresponds to a single Mn ion. It was established that fields of solid solutions in Pd-Mn and Cu-Mn systems corresponded to the states of the colloidal solid solution.
 
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