Structure-dependent exchange in the organic magnets Cu(II)Pc and Mn(II)Pc

Abstract

We study exchange couplings in the organic magnets copper(II) phthalocyanine (Cu(II)Pc) and manganese(II) phthalocyanine (Mn(II)Pc) by a combination of Green's function perturbation theory and \textsl{ab initio} density-functional theory (DFT). Based on the indirect exchange model our perturbation-theory calculation of Cu(II)Pc qualitatively agrees with the experimental observations. DFT calculations performed on Cu(II)Pc dimer show a very good quantitative agreement with exchange couplings that we extract by using a global fitting for the magnetization measurements to a spin-1/2 Bonner-Fisher model. These two methods give us remarkably consistent trends for the exchange couplings in Cu(II)Pc when changing the stacking angles. The situation is more complex for Mn(II)Pc owing to the competition between super-exchange and indirect exchange.

arXiv comment13 pages,10 figures. To appear in Physical Review B

References in corpus (4)

• Spin relaxation in a nanowire organic spin valve: Observation of extremely long spin relaxation times
• Molecular Spintronics: Spin-Dependent Electron Transport in Molecular Wires
• Molecular Thin Films: a New Type of Magnetic Switch
• Magnetic properties of alpha-iron(II) phthalocyanine

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• Modelling the electronic structure and magnetic properties of LiFeAs and FeSe using hybrid-exchange density functional theory
• Exchange interaction between the triplet exciton and the localized spin in copper-phthalocyanine
• One-dimensional Dexter-type excitonic topological phase transition
• Indirect Spin Exchange Interaction in Substituted Copper Phthalocyanine Crystalline Thin Films