Single molecule magnets (SMMs) form a new class of magnetic materials consisting of identical nanoscale particles that can show magnetization in the absence of a magnetic field. We have experimentally and theoretically investigated the low-spin (S=4) member of the Mn6 SMM family, properly functionalized with two 3-thiophenecarboxylate (3tpc) ligands in order to graft it on to a Au(111) surface. We report the theoretical density of states calculated within the local density approximation (LDA) scheme accounting for the on-site Coulomb repulsion (LDA+U) for U values ranging from 0 to 8 eV. On the experimental side, by exploiting resonant photoemission at the Mn 2p edge, we were able to single out the Mn 3d derived states in the valence band energy region for a submonolayer distribution of Mn6-3tpc deposited on Au(111). From the comparison between the experimentally derived 3d density of states and the theoretical one, we found that the best agreement occurs for a U value of 4 eV. From the binding energy of Mn 2 p3/2 core line, measured in situ, we also derived a value for the 2p-3d correlation energy of about 5 eV -in agreement with previous determination. © 2008 The American Physical Society

Del Pennino, U., Corradini, V., Biagi, R., De Renzi, V., Moro, F., Boukhvalov, D., et al. (2008). Electronic structure of a Mn6 (S=4) single molecule magnet grafted on Au(111). PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS, 77(8) [10.1103/PhysRevB.77.085419].

Electronic structure of a Mn6 (S=4) single molecule magnet grafted on Au(111)

Moro, F.;
2008

Abstract

Single molecule magnets (SMMs) form a new class of magnetic materials consisting of identical nanoscale particles that can show magnetization in the absence of a magnetic field. We have experimentally and theoretically investigated the low-spin (S=4) member of the Mn6 SMM family, properly functionalized with two 3-thiophenecarboxylate (3tpc) ligands in order to graft it on to a Au(111) surface. We report the theoretical density of states calculated within the local density approximation (LDA) scheme accounting for the on-site Coulomb repulsion (LDA+U) for U values ranging from 0 to 8 eV. On the experimental side, by exploiting resonant photoemission at the Mn 2p edge, we were able to single out the Mn 3d derived states in the valence band energy region for a submonolayer distribution of Mn6-3tpc deposited on Au(111). From the comparison between the experimentally derived 3d density of states and the theoretical one, we found that the best agreement occurs for a U value of 4 eV. From the binding energy of Mn 2 p3/2 core line, measured in situ, we also derived a value for the 2p-3d correlation energy of about 5 eV -in agreement with previous determination. © 2008 The American Physical Society
Articolo in rivista - Articolo scientifico
Electronic, Optical and Magnetic Materials; Condensed Matter Physics
English
2008
77
8
085419
none
Del Pennino, U., Corradini, V., Biagi, R., De Renzi, V., Moro, F., Boukhvalov, D., et al. (2008). Electronic structure of a Mn6 (S=4) single molecule magnet grafted on Au(111). PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS, 77(8) [10.1103/PhysRevB.77.085419].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/210671
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