Structural and magnetic properties of ternary Fe_1–xMn_xPt nanoalloys from first principles

• Markus E. Gruner and
• Peter Entel

Beilstein J. Nanotechnol. 2011, 2, 162–172, doi:10.3762/bjnano.2.20

• spin states, while the 5d and the majority states remain nearly unaffected. This makes the distribution of the minority spin 3d states in the vicinity of the Fermi level a decisive factor for the evolution of the stability of the structures with composition. When replacing Fe by Co, the additional d

• electrons of Co necessarily fill up the minority channel, because the majority spin states are occupied. This shifts the contributions of Co to lower energies. The corresponding shift, however, is larger for the onion-ring icosahedron, since the density of the L10 minority 3d states encounter a steep