Search results for "Double-exchange mechanism"
showing 2 items of 2 documents
Electric Field Control of Spin-Dependent Dissipative Electron Transfer Dynamics in Mixed-Valence Molecules
2015
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 num…
Interplay of spin-dependent delocalization and magnetic anisotropy in the ground and excited states of [Gd2@C78]− and [Gd2@C80]−
2017
The magnetic properties and electronic structure of the ground and excited states of two recently characterized endohedral metallo-fullerenes, [Gd2@C78]- (1) and [Gd2@C80]- (2), have been studied by theoretical methods. The systems can be considered as [Gd2]5+ dimers encapsulated in a fullerene cage with the fifteen unpaired electrons ferromagnetically coupled into an S = 15/2 high-spin configuration in the ground state. The microscopic mechanisms governing the Gd-Gd interactions leading to the ferromagnetic ground state are examined by a combination of density functional and ab initio calculations and the full energy spectrum of the ground and lowest excited states is constructed by means …