NNN 9 P Description of the intracluster kinetics of the electron transfer in weakly structured materials
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YALTYCHENKO, Olga, KANAROVSKY, Evghenii. NNN 9 P Description of the intracluster kinetics of the electron transfer in weakly structured materials. In: Materials Science and Condensed Matter Physics, Ed. 6, 11-14 septembrie 2012, Chișinău. Chișinău, Republica Moldova: Institutul de Fizică Aplicată, 2012, Editia 6, p. 218. ISBN 978-9975-66-290-1.
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Materials Science and Condensed Matter Physics
Editia 6, 2012
Conferința "Materials Science and Condensed Matter Physics"
6, Chișinău, Moldova, 11-14 septembrie 2012

NNN 9 P Description of the intracluster kinetics of the electron transfer in weakly structured materials


Pag. 218-218

Yaltychenko Olga, Kanarovsky Evghenii
 
Institute of Applied Physics
 
 
Disponibil în IBN: 25 martie 2020


Rezumat

Now, the weakly structured or disordered materials, such as organic, polymer and amorphous, with embedded nanocomplexes (nanoclusters, nanostructures) began to acquire the importance for microelectronic and nanoelectronic applications. The description of features of the electron transfer in the dimer nanocluster embedded in a weakly structured matrix is theoretically considered. In our work the influence of the multimode matrix on the kinetics of the elementary nanocluster system as that a dimer with two electrons is studied. Namely, the proposed model considers nanodimer as a quantum mechanical system and its interaction with a matrix of surrounding has a stochastic character (the "white noise" type). It is assumed that the coupling between electronic states and the degrees of freedom of the matrix is described by Gaussian random variables. The stochastic process is a Gauss-Markov, when the correlation functions are δ-correlated in the time. It is quite acceptable to describe the time-dynamic processes within nanodimer embedded in a matrix. The organic, polymer or amorphous matrix, can be considered not only as a weakly structured system, but also as a multimode system (i.e. it has a large number of both high-frequency and low-frequency degrees of freedom). Dimer nanocluster with two electrons can be described by the Hubbard Hamiltonian, as for example in [1]. Herewith, the environment changes stochastically the value of parameters of the system, which are functions of the electronic degrees of freedom of the dimer. So, in the considered model the fluctuations of values of the one-center electron repulsion parameter and the electron transfer parameter between the dimer centers occur. In the given model the equation for the density matrix is written as a system of nine differential equations in which the averaging over realizations of the random process is performed. Further for simplicity and the possibility of the analytical solutions of the resulting system of equations we used the Haken-Strobl approximation [2], in which the cross-fluctuations are negligible, while the diagonal fluctuations are δ-correlated. As a result the system of 9 differential equations is reduced up to 3 equations only for the diagonal density matrix elements. Also, it is taken into account that the sum of the diagonal density matrix elements equal to one. The analysis of the electron transfer kinetics in the dimer nanocluster is carried out from the time dependence of diagonal density matrix elements ρ11(t) – ρ33(t). The value of ρ11(t) – ρ33(t) defines the electron population difference on the centers of nanodimer with account of the stochastic processes in the environment and the analysis of this value shows how the environment affects on the intracluster electron transfer, so the nanodimer switches from one state to another. Namely, it is significant that at the initial time two electrons in the dimer are on the same center, i.e. the dimer is in the dipole-active state. The influence of stochastic process in the environment of the dimer leads to the relaxation effect, so that the electrons are redistributed in finally one for each dimer center. Thus, a dimer with two extra electrons relaxes from the dipole-active state to the magnetically active state. Herewith, the dipole moment direction of dimer is periodically reversed during the relaxation process. Thus, the response on the external fields for the dimer system, embedded in the environment, is determined as the kinetics of electron transfer in dimer and parameters of stochastic process related with the influence of the environment. The specified type of behavior of such systems makes them attractive for use in device applications, for example, as switchers.