Floquet driven frictional effects

Abstract

When the coupled electron-nuclear dynamics are subjected to strong Floquet driving, there is a strong breakdown of the Born-Oppenheimer approximation. In this article, we derive a Fokker-Planck equation to describe non-adiabatic molecular dynamics with electronic friction for Floquet driven systems. We first provide a new derivation of the Floquet quantum-classical Liouville equation (QCLE) for driven electron-nuclear dynamics. We then transform the Floquet QCLE into a Fokker-Planck equation with explicit forms of frictional force and random force. We recast the electronic friction in terms of Floquet Green's functions such that we can evaluate the electronic friction explicitly. We show that the Floquet electronic friction tensor exhibits antisymmetric terms even at equilibrium for real-valued Hamiltonian, suggesting that there is a Lorentz-like force in Floquet driven non-Born Oppenheimer dynamics even without any spin-orbit couplings.

Main: 5 pages, 3 figuers, Supplement: 5 page

References in corpus (13)

• Driven quantum transport on the nanoscale
• Dissipative Floquet Topological Systems
• Current-induced atomic dynamics, instabilities, and Raman signals: Quasi-classical Langevin equation approach
• Floquet analysis of a quantum system with modulated periodic driving
• Spin Polarization through A Molecular Junction Based on Nuclear Berry Curvature Effects
• A computational study of two-terminal transport of Floquet quantum Hall insulators
• Spintronics meets nonadiabatic molecular dynamics: Geometric spin torque and damping on noncollinear classical magnetism due to electronic open quantum system
• Quantum-classical nonadiabatic dynamics of Floquet driven systems
• Quantum Dynamics with Electronic Friction
• Electronic friction in interacting systems
• Non-Adiabatic Effects of Nuclear Motion in Quantum Transport of Electrons: A Self-Consistent Keldysh-Langevin Study
• Cooling molecular electronic junctions by AC current
• On the Proper Derivation of the Floquet-based Quantum Classical Liouville Equation and Surface Hopping Describing a Molecule or Material Subject to an External Field