Correlation effects and configuration of a one-dimensional bipolaron

Kashirina, N. I.; Лахно, В. Д.

doi:10.1016/j.physleta.2019.126003

Cited by 3 publications

(1 citation statement)

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“…The decisive factor in this case is consideration of interelectronic correlations associated with the direct dependence of polaron WF on the distance between electrons. At the same time, in onedimensional crystals, both one-center and two-center configurations of bipolaron can coexist [23,24].…”

Section: Discussion Of the Obtained Resultsmentioning

confidence: 99%

Energy of interaction between polarons and spatial configuration of bipolaron in two-dimensional systems

Kashirina¹,

Kashirina²,

Korol³

et al. 2020

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The work is aimed at studying the influence of correlation effects on the interaction energy of two-dimensional (2D) polarons. The two-center configuration of 2D bipolaron corresponds to a shallow secondary minimum, which occurs when only the correlations associated with the permutation symmetry of the system are taken into account. The correlations associated with the direct dependence of the electron wave function on the distance between electrons lead to stabilization of the one-center configuration, and the secondary minimum corresponding to the two-center configuration disappears. Variational calculations were performed using a multiparameter Gaussian functions with correlation multipliers. The ground state energy of bipolaron is E 2 =-0.542169 E h * for η = ε ∞ /ε 0 = 0, where ε ∞ and ε 0 are the high-frequency and static dielectric constants of the crystal, respectively, E h * is the effective Hartree energy. The binding energy of bipolaron was calculated with respect to the double energy of 2D polaron obtained for wave function, consisting of 5 Gaussian exponents. The ground state energy of 2D polaron is E 1 =-0.202366 E h * for η = 0. The critical value of the ionicity parameter η corresponds to η с ≈ 0.2. At η > η c , 2D bipolaron breaks up into two 2D polarons.

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Section: Discussion Of the Obtained Resultsmentioning

confidence: 99%