In our recent paper [Phys. Rev. B 2023, 107, 184314], we introduced a Floquet electronic friction model to describe nonadiabatic molecular dynamics near metal surfaces in the presence of periodic driving. In this work, we combine the quantum transport study with Langevin dynamics and demonstrate that the nonvanishing antisymmetric friction tensor associated with Floquet driving results in a closed trajectory for the nuclei in the long-time limit. We show that Floquet driving strongly affects nuclear motion, resembling the Lorentz force. Our results indicate that Floquet driving can increase the temperature of the nuclei at low bias voltages, whereas Floquet driving can cool down the nuclei at high bias voltages. In addition, we show that Floquet driving can affect electron transport strenuously. Finally, we find out that there is an optimal frequency that maximizes electron current. We expect that the Floquet electronic friction model will provide a powerful tool for further research in nonadiabatic molecular dynamics near metal surfaces under Floquet driving.

中文翻译：

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量子输运中具有类光致洛伦兹力的 Floquet 非绝热核动力学


在我们最近的论文中[Phys。 Rev. B 2023, 107, 184314]，我们引入了 Floquet 电子摩擦模型来描述周期性驱动下金属表面附近的非绝热分子动力学。在这项工作中，我们将量子输运研究与朗之万动力学相结合，证明与 Floquet 驱动相关的非零反对称摩擦张量会导致原子核在长时间极限内形成闭合轨迹。我们证明了 Floquet 驱动强烈影响核运动，类似于洛伦兹力。我们的结果表明，Floquet 驱动可以在低偏置电压下增加核的温度，而 Floquet 驱动可以在高偏置电压下冷却核。此外，我们还表明 Floquet 驱动会严重影响电子传输。最后，我们发现存在一个使电子电流最大化的最佳频率。我们期望 Floquet 电子摩擦模型将为进一步研究 Floquet 驱动下金属表面附近的非绝热分子动力学提供强大的工具。