A Mechanism for Photoinduced Effects In Tetracyanoethylene-Based Organic Magnets

Details A Mechanism for Photoinduced Effects In Tetracyanoethylene-Based Organic Magnets A Mechanism for Photoinduced Effects In Tetracyanoethylene-Based Organic Magnets

2006-06-13

arxiv.org/abs/cond-mat/0606343v1

Phys. Rev. Lett. 97, 247202 (2006)

Physics

Condensed Matter

Materials Science

4 pages, 4 figures

Scientific paper

The photoinduced magnetism in manganese-tetracyanoethylene (Mn-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 spin into the lowest unoccupied orbital of TCNE with photon energies around 3 eV increases 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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