非抛物面带中二次极子的解析方法

Serghei N. Klimin, Jacques Tempere, Matthew Houtput, Stefano Ragni, Thomas Hahn, Cesare Franchini, Andrey S. Mishchenko
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摘要

晶格非谐波对电子-声子相互作用的影响最近引起了人们的关注,因为它是解释各种现象(包括超导性、光学响应和迁移率的温度依赖性)的一个必要和重要的组成部分。这项研究的重点是分析处理非谐波电子-声子耦合对极子自能的影响,并结合数值图解蒙特卡洛数据。具体来说,我们将二次相互作用纳入挤压声子态方法,该方法已被证明对分析计算极子参数非常有效。此外,我们在保持系统周期性平移对称性的同时,将这种方法扩展到了非抛物面无限宽导带。我们的结果与最近的一项研究[Phys. Rev. B107, L121109(2023)]中部分报道的从模拟蒙特卡洛(Diagrammatic Monte Carlo)得到的结果进行了比较,后者涵盖了当时非线性相互作用的宽耦合强度范围。值得注意的是,我们的分析方法预测了与图解蒙特卡罗模拟相同的特征。
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An analytic method for quadratic polarons in non-parabolic bands
Including the effect of lattice anharmonicity on electron-phonon interactions has recently garnered attention due to its role as a necessary and significant component in explaining various phenomena, including superconductivity, optical response, and the temperature dependence of mobility. This study focuses on analytically treating the effects of anharmonic electron-phonon coupling on the polaron self-energy, combined with numerical Diagrammatic Monte Carlo data. Specifically, we incorporate a quadratic interaction into the method of squeezed phonon states, which has proven effective for analytically calculating the polaron parameters. Additionally, we extend this method to non-parabolic finite-width conduction bands while maintaining the periodic translation symmetry of the system. Our results are compared with those obtained from Diagrammatic Monte Carlo, partially reported in a recent study [Phys. Rev. B 107, L121109(2023)], covering a wide range of coupling strengths for the nonlinear interaction. Remarkably, our analytic method predicts the same features as the Diagrammatic Monte Carlo simulation.
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