Electron-phonon thermalization in a scalable method for real-time quantum dynamics
arXiv:1511.03875 · doi:10.1103/PhysRevB.93.024306
Abstract
We present a quantum simulation method that follows the dynamics of out-of-equilibrium many-body systems of electrons and oscillators in real time. Its cost is linear in the number of oscillators and it can probe timescales from attoseconds to hundreds of picoseconds. Contrary to Ehrenfest dynamics, it can thermalize starting from a variety of initial conditions, including electronic population inversion. While an electronic temperature can be defined in terms of a non-equilibrium entropy, a Fermi-Dirac distribution in general emerges only after thermalization. The time evolution of the populations is rationalized in terms of a kinetic model.
References in corpus (8)
- Molecular Transport Junctions: Vibrational Effects
- Inelastic transport theory from first-principles: methodology and applications for nanoscale devices
- Current-induced atomic dynamics, instabilities, and Raman signals: Quasi-classical Langevin equation approach
- The transfer of energy between electrons and ions in solids
- Laser-like vibrational instability in rectifying molecular conductors
- Coherent excitations and electron phonon coupling in Ba/EuFe_2As_2 compounds investigated by femtosecond time- and angle-resolved photoemission spectroscopy
- Current-induced forces: a simple derivation
- Robust non-adiabatic molecular dynamics for metals and insulators
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