Spin dynamics on photoexcited state of functionality π-radical via quantum-mixed state: Theoretical study of the spin polarized state generation using the mechanism via quantum-mixed state

A theoretical study of the generation of the dynamic spin polarization (DSP) in the phtotoexcited states utilizing the spin dynamics of the functionality π-radical is reported. The functionality π-radical can be regarded as a model compound of “trapped trion” in the molecular level. The spin dynamics from the quantum-mixed (QM) state to the strongly exchange-coupled (SC) pure quartet high-spin state of a functionality π-radical (A–D–R) was investigated theoretically by the stochastic Liouville equations (SLE). A possibility of the dynamic spin polarization utilizing the unique spin dynamics of the triad system is proposed based on the knowledge obtained by the numerical calculation of the spin dynamics and of the magnetic field dependence of the population transfer from the QM states to the SC states.

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► In viewpoint of the spintronics, we discuss triplet–doublet exchange coupled system.
► The functionality π-radical can be regarded as a model of “trapped trion”.
► We calculated magnetic field dependence of the spin polarization.
► We propose the spin polarization generation using the excited state of triad system.
► The generation of the net spin polarization is theoretically predicted.