论文标题
石墨烯超快电荷动力学的AB-Intio研究
Ab-intio study of ultrafast charge dynamics in graphene
论文作者
论文摘要
单层石墨烯提供了一种理想的材料,可探索基本光场驱动的干扰效应之一:Landau-Zener-Stückelberg干扰。但是,在动量空间中直接观察所产生的干扰模式尚未证明是可能的,而Landau-Zener-Stückelberg干扰仅通过光学诱导的残留电流间接观察到。在这里,我们表明瞬态电子动量密度(EMD)是可以在实验中很容易获得的对象,可很好地描述动量解析电荷激发。我们采用最新的时间依赖性密度函数理论计算,通过将EMD与传导带占用率进行直接比较来证明,从将时间传播的波函数投射到基态上,这两个量非常一致。对于最激烈的激光脉冲,我们发现电子动力学几乎完全由$π$ - 带,并且向其他频段的过渡也受到了强烈抑制。因此,可以预期基于简单的基于模型的紧密结合方法可以为石墨烯中激光诱导的电子动力学提供出色的描述。
Monolayer graphene provides an ideal material to explore one of the fundamental light-field driven interference effects: Landau-Zener-Stückelberg interference. However, direct observation of the resulting interference patterns in momentum space has not proven possible, with Landau-Zener-Stückelberg interference observed only indirectly through optically induced residual currents. Here we show that the transient electron momentum density (EMD), an object that can easily be obtained in experiment, provides an excellent description of momentum resolved charge excitation. We employ state-of-the-art time-dependent density function theory calculations, demonstrating by direct comparison of EMD with conduction band occupancy, obtained from projecting the time propagated wavefunction onto the ground state, that the two quantities are in excellent agreement. For even the most intense laser pulses we find that the electron dynamics to be almost completely dominated by the $π$-band, with transitions to other bands strongly suppressed. Simple model based tight-binding approaches can thus be expected to provide an excellent description for the laser induced electron dynamics in graphene.