6533b7dafe1ef96bd126e000

RESEARCH PRODUCT

Electric Field Control of Spin-Dependent Dissipative Electron Transfer Dynamics in Mixed-Valence Molecules

subject

description

We demonstrate that the borderline class II/III magnetic MV dimers, which can be referred to as single molecule multiferroics, provide a unique possibility to achieve electric field control of the electron transfer (ET) dynamics. As an example, we consider a MV dimer d2-d1 in which an extra electron is delocalized over two spin-cores (s0 = 1/2), and the ET is spin-dependent due to the double exchange mechanism. It is assumed that the “extra” electron is coupled to the only intramolecular vibration, and a weak coupling to the dissipative subsystem (thermal bath) is taken into account. The vibronic energy levels and the wave functions of the isolated dimer (quantum part of the system) are numerically evaluated within the vibronic Piepho, Krausz, and Schatz (PKS) model. The dissipative dynamical behavior is treated within the multilevel Redfield approach for the reduced density matrix. The external electric field is assumed to initially stabilize either ferro (S = 3/2)- or antiferromagnetic (S = 1/2) spin st...