Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userLangevin dynamics with spatial correlations as a model for electron-phonon coupling
91
0
0.0
(
0
)
Ask ChatGPT about the research
No Arabic abstract
Stochastic Langevin dynamics has been traditionally used as a tool to describe non-equilibrium processes. When utilized in systems with collective modes, traditional Langevin dynamics relaxes all modes indiscriminately, regardless of their wavelength. We propose a generalization of Langevin dynamics that can capture a differential coupling between collective modes and the bath, by introducing spatial correlations in the random forces. This allows modeling the electronic subsystem in a metal as a generalized Langevin bath endowed with a concept of locality, greatly improving the capabilities of the two-temperature model. The specific form proposed here for the spatial correlations produces physical wavevector- and polarization-dependency of the relaxation produced by the electron-phonon coupling in a solid. We show that the resulting model can be used for describing the path to equilibration of ions and electrons, and also as a thermostat to sample the equilibrium canonical ensemble. By extension, the family of models presented here can be applied in general to any dense system, solids, alloys and dense plasmas. As an example, we apply the model to study the non-equilibrium dynamics of an electron-ion two-temperature Ni crystal.
rate research
Read More
We study the dynamics of the fluctuations of the variance $s$ of the order parameter of the Gaussian model, following a temperature quench of the thermal bath. At each time $t$, there is a critical value $s_c(t)$ of $s$ such that fluctuations with $s>s_c(t)$ are realized by condensed configurations of the systems, i.e., a single degree of freedom contributes macroscopically to $s$. This phenomenon, which is closely related to the usual condensation occurring on average quantities, is usually referred to as {it condensation of fluctuations}. We show that the probability of fluctuations with $s<inf_t [s_c(t)]$, associated to configurations that never condense, after the quench converges rapidly and in an adiabatic way towards the new equilibrium value. The probability of fluctuations with $s>inf_t [s_c(t)]$, instead, displays a slow and more complex behavior, because the macroscopic population of the condensing degree of freedom is involved.
We present a Quantum Monte Carlo (QMC) study, based on the Langevin equation, of a Hamiltonian describing electrons coupled to phonon degrees of freedom. The bosonic part of the action helps control the variation of the field in imaginary time. As a consequence, the iterative conjugate gradient solution of the fermionic action, which depends on the boson coordinates, converges more rapidly than in the case of electron-electron interactions, such as the Hubbard Hamiltonian. Fourier Acceleration is shown to be a crucial ingredient in reducing the equilibration and autocorrelation times. After describing and benchmarking the method, we present results for the phase diagram focusing on the range of the electron-phonon interaction. We delineate the regions of charge density wave formation from those in which the fermion density is inhomogeneous, caused by phase separation. We show that the Langevin approach is more efficient than the Determinant QMC method for lattice sizes $N gtrsim 8 times 8$ and that it therefore opens a potential path to problems including, for example, charge order in the 3D Holstein model.
We discuss the use of a Langevin equation with a colored (correlated) noise to perform constant-temperature molecular dynamics simulations. Since the equations of motion are linear in nature, it is easy to predict the response of a Hamiltonian system to such a thermostat and to tune at will the relaxation time of modes of different frequency. This allows one to optimize the time needed to thermalize the system and generate independent configurations. We show how this frequency-dependent response can be exploited to control the temperature of Car-Parrinello-like dynamics, keeping at low temperature the electronic degrees of freedom, without affecting the adiabatic separation from the vibrations of the ions.
We investigate the nature of the effective dynamics and statistical forces obtained after integrating out nonequilibrium degrees of freedom. To be explicit, we consider the Rouse model for the conformational dynamics of an ideal polymer chain subject to steady driving. We compute the effective dynamics for one of the many monomers by integrating out the rest of the chain. The result is a generalized Langevin dynamics for which we give the memory and noise kernels and the effective force, and we discuss the inherited nonequilibrium aspects.
In the past decade, the advent of time-resolved spectroscopic tools has provided a new ground to explore fundamental interactions in solids and to disentangle degrees of freedom whose coupling leads to broad structures in the frequency domain. Time- and angle-resolved photoemission spectroscopy (tr-ARPES) has been utilized to directly study the relaxation dynamics of a metal in the presence of electron-phonon coupling. The effect of photo-excitations on the real and imaginary part of the self-energy as well as the time scale associated with different recombination processes are discussed. In contrast to a theoretical model, the phonon energy does not set a clear scale governing quasiparticle dynamics, which is also different from the results observed in a superconducting material. These results point to the need for a more complete theoretical framework to understand electron-phonon interaction in a photo-excited state.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
