Photoinduced Magnetism Caused by Charge-Transfer Excitations in Tetracyanoethylene-Based Organic Magnets

Serkan Erdin and Michel van Veenendaal
Phys. Rev. Lett. 97, 247202 – Published 11 December 2006

Abstract

The photoinduced magnetism in Mn-tetracyanoethylene (TCNE) molecule-based magnets is ascribed to charge-transfer excitations from manganese to TCNE. Charge-transfer energies are calculated using density functional theory; photoinduced magnetization is described using a model Hamiltonian based on a double-exchange mechanism. Photoexciting electrons from the manganese core spins into the lowest unoccupied orbital of TCNE with photon energies around 3 eV increase the magnetization through a reduction of the canting angle of the manganese core spins for an average electron density on TCNE less than one. When photoexciting with a smaller energy, divalent TCNE molecules are formed. The delocalization of the excited electron causes a local spin flip of a manganese core spin.

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  • Received 13 June 2006

DOI:https://doi.org/10.1103/PhysRevLett.97.247202

©2006 American Physical Society

Authors & Affiliations

Serkan Erdin and Michel van Veenendaal

  • Department of Physics, Northern Illinois University, DeKalb, Illinois 60115, USA, and Advanced Photon Source, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, USA

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Issue

Vol. 97, Iss. 24 — 15 December 2006

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