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Out-of-plane Magnetic Anisotropy Energy in Ni3Bz3 Molecule

Abstract

Organometallic complexes formed by transition metals clusters and benzene molecules have already been synthesized, and in selected cases display magnetic properties controlled by external magnetic fields. We have studied NinBzn complexes made of nickel atoms surrounded by benzene molecules and here we focus specifically on the magnetic molecule Ni3Bz3. By means of calculations including relativistic spin-orbit terms, we show that this molecule reveals a large magnetic anisotropy energy of approximately 8 meV, found with the easy axis perpendicular to the metal atoms plane. Note that the matching bare Ni3 cluster have similar magnetic anisotropy, however the easy axis is in-plane. Covering with benzene molecules is thus switching the easy axis from in-plane for Ni3 to out-of-plane for Ni3Bz3. The large out-of-plane magnetic anisotropy of Ni3Bz3 suggests that this molecule could indeed be used as part in the design of molecular magnetic memories.

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Publication details

The article was received on 05 Jul 2018, accepted on 05 Feb 2019 and first published on 06 Feb 2019


Article type: Paper
DOI: 10.1039/C8CP04251A
Citation: Phys. Chem. Chem. Phys., 2019, Accepted Manuscript

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    Out-of-plane Magnetic Anisotropy Energy in Ni3Bz3 Molecule

    T. Alonso-Lanza, J. W. Gonzalez, F. Aguilera-Granja and A. Ayuela, Phys. Chem. Chem. Phys., 2019, Accepted Manuscript , DOI: 10.1039/C8CP04251A

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