Calculation of the magnetic properties of FeN clusters embedded in 3d transition-metal matrices
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The magnetic properties of FeN clusters (N = 1,9,15) embedded in non-magnetic and anti-ferromagnetic matrices (e.g., V, Cr) are calculated self-consistently by solving a realistic spd-band model Hamiltonian including intra-atomic Coulomb interactions in the unrestricted Hartree-Fock approximation. Our results are compared with those obtained for free FeN clusters and for the Fe, V and Cr solids. The role of the structural and chemical local environment on cluster magnetic properties is analyzed. Some of the implications of the present study for magnetic alloys and ferromagnetic clusters on surfaces are also briefly discussed. © 1994.
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Alloys; Antiferromagnetism; Approximation theory; Chromium; Ferromagnetic materials; Iron; Mathematical models; Molecular structure; Transition metals; Vanadium; Antiferromagnetic matrices; Atomic clusters; Atomic coulomb interaction; Hartree Fock approximation; Nonmagnetic matrices; Spd-band model Hamiltonian; Magnetic properties
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