Dynamics of electron localization in low-frequency electric field in nanotrimer considering the influence of nondissipative matrix

Abstract

This article studies the dynamics of an electron in a three-center nanocluster that is embedded in a nondissipative matrix and is affected by a periodic electric field. The proposed model uses Holstein’s Hamiltonian, in which the additional addends taking into account the action of the external electric field and the effect of the nondissipative matrix are included. A three-center nanocluster is considered together with the ligand environment of its centers, and the interaction of an electron with local vibrations in the ligand environment is also taken into account. The obtained system of differential equations is solved numerically for different values of the model parameters (internal and external). The various regimes of the electron density distribution in the nanotrimer are identified. The approach presented here focuses on taking into account the influence of the low-frequency electric field. Both the temporal dynamics of the electron subsystem of the trimeric nanocluster and the energy distribution between the intracluster vibrational modes in its vibrational subsystem are analyzed. In addition, the role of an external mode of the matrix interacting with the intracluster modes is revealed. It is found that, depending on the certain combinations of internal and external parameters of the given model, either the accumulation (localization) of the electron density at any of the nanotrimer centers or the delocalization of the electron density between two or even three of its centers can occur. In turn, the electron density distribution in the trimer affects its dipole moment and thereby determines the polarization properties of such composite materials.