Nonequilibrium Lattice Dynamics in Monolayer MoS2

被引：49

作者：

Caruso, Fabio ^{[1
]}

机构：

[1] Christian Albrechts Univ Kiel, Inst Theoret Phys & Astrophys, Kiel, Germany

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2021年 / 12卷 / 06期

关键词：

D O I：

10.1021/acs.jpclett.0c03616

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The coupled nonequilibrium dynamics of electrons and phonons in monolayer MoS2 is investigated by combining first-principles calculations of the electron-phonon and phonon-phonon interactions with the time-dependent Boltzmann equation. Strict phase-space constraints in the electron-phonon scattering are found to influence profoundly the decay path of excited electrons and holes, restricting the emission of phonons to crystal momenta close to a few high-symmetry points in the Brillouin zone. As a result of momentum selectivity in the phonon emission, the nonequilibrium lattice dynamics is characterized by the emergence of a highly anisotropic population of phonons in reciprocal space, which persists for up to 10 ps until thermal equilibrium is restored by phonon-phonon scattering. Achieving control of the nonequilibrium dynamics of the lattice may provide unexplored opportunities to selectively enhance the phonon population of two-dimensional crystals and, thereby, transiently tailor electron-phonon interactions over subpicosecond time scales.

引用

页码：1734 / 1740

页数：7

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