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Electron correlations and spatial configuration of the bipolaron

机译:双极子的电子相关性和空间构型

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Bipolaron energy is calculated for various distances between the centers of polarization wells of two polarons with accounting the electron correlations. A singlet bipolaron is stable at a rather high energy of ion binding eta < eta(m) approximate to 0.143, eta = epsilon(infinity)/epsilon(0) (epsilon(infinity) and epsilon(0) are the high-frequency and static dielectric constants, respectively). The unique energy minimum corresponds to a one-center bipolaron (analog of a helium atom). The bipolaron binding energy constitutes up to 25.8% of a double polaron energy at eta --> 0. A triplet bipolaron (analog of ortho-helium) is energetically disadvantageous. The one-center configuration of a triplet bipolaron corresponds to a maximum on the distance dependence of the total energy J(Bp)(R). The exchange interaction between polarons has antiferromagnetic character. A prediction is made about a possibility of Wigner crystallization of a polaron gas, which occurs with antiferromagnetic ordering in the polaron system. [References: 20]
机译:针对两个极化子的极化阱中心之间的各种距离,计算双极化子能量,并考虑电子相关性。单峰双极子在相当高的离子结合能eta 0时,双极化子的结合能最多占双极化子能量的25.8%。三重态双极化子(邻氦原子的类似物)在能量上不利。三重态双极化子的单中心构型对应于总能量J(Bp)(R)的距离依赖性最大值。极化子之间的交换相互作用具有反铁磁特性。对极化子气体的维格纳结晶的可能性进行了预测,这种极化会在极化子系统中以反铁磁有序发生。 [参考:20]

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