arXivDaily arXiv每日学术速递 周一至周五更新
北美退伍军人节(Veterans Day),12 日无更新
arXiv 2006.14965cond-mat.str-el
收藏

超快电子-玻色子动力学的快速格林函数方法

Fast Green's function method for ultrafast electron-boson dynamics

Daniel Karlsson, Robert van Leeuwen, Yaroslav Pavlyukh, Enrico Perfetto, Gianluca Stefanucci

摘要:

电子与量子化声子和光子的相互作用构成了从分子到固体的系统的超快动力学的基础,它产生了大量的物理现象,这些现象可以通过时间分辨技术在实验上获得。格林函数方法提供了一个宝贵的解释工具,因为散射机制的日益复杂,可以有选择地纳入理论。然而,目前,实时格林函数模拟要么由于传播时间的立方缩放而过于昂贵,要么忽略电子对玻色子的反馈,从而违反能量守恒。我们提出了一个计算效率的格林函数计划,克服了这两个限制。数值工作与传播时间成线性关系,而电子和玻色子的同时穿着保证了所有基本守恒定律的实现。我们提出了一个实时的声子驱动的弛豫动力学的光激发窄带隙绝缘体的研究,突出的声子自由度的非热行为。我们的配方铺平了道路的第一性原理模拟电子玻色子系统具有前所未有的长传播时间。

英文摘要:

The interaction of electrons with quantized phonons and photons underlies the ultrafast dynamics of systems ranging from molecules to solids, and it gives rise to a plethora of physical phenomena experimentally accessible using time-resolved techniques. Green's function methods offer an invaluable interpretation tool since scattering mechanisms of growing complexity can be selectively incorporated in the theory. Currently, however, real-time Green's function simulations are either prohibitively expensive due to the cubic scaling with the propagation time or do neglect the feedback of electrons on the bosons, thus violating energy conservation. We put forward a computationally efficient Green's function scheme which overcomes both limitations. The numerical effort scales linearly with the propagation time while the simultaneous dressing of electrons and bosons guarantees the fulfillment of all fundamental conservation laws. We present a real-time study of the phonon-driven relaxation dynamics in an optically excited narrow band-gap insulator, highlighting the nonthermal behavior of the phononic degrees of freedom. Our formulation paves the way to first-principles simulations of electron-boson systems with unprecedented long propagation times.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑