Related papers: Multiple phonon modes in Feynman path-integral var…
The many-body Monte Carlo method is used to evaluate the frequency dependent conductivity and the average mobility of a system of hopping charges, electronic or ionic on a one-dimensional chain or channel of finite length. Two cases are…
I propose a path integral description of the Su-Schrieffer-Heeger Hamiltonian, both in one and two dimensions, after mapping the real space model onto the time scale. While the lattice degrees of freedom are classical functions of time and…
The phonon thermal conductivity of semiconducting periodic solids can be obtained using the lattice dynamics calculations along with the Boltzmann transport equation and with input from density functional theory calculations. These…
The best quadratic approximation to the retarded polaron action due to Adamowski {\it et al.} and Saitoh is investigated numerically for a wide range of coupling constants. The non-linear variational equations are solved iteratively with an…
Motivated by thermal conductivity experiments in spin chain compounds, we propose a phenomenological model to account for a ballistic magnetic transport coupled to a diffusive phononic one, along the line of the seminal two-temperature…
The phonon Boltzmann transport equation (BTE) is a powerful tool for studying non-diffusive thermal transport. Here, we develop a new universal variational approach to solving the BTE that enables extraction of phonon mean free path (MFP)…
The solution for the large-radius Fr\"{o}hlich polaron in the Schr\"{o}dinger representation of the quantum theory is constructed in the entire range of variation of the coupling constant. The energy and the effective mass of the polaron…
The variable range hopping (VRH) model has been widely applied to describe electrical transport in disordered systems, providing theoretical formulas to fit temperature-dependent electric conductivity. These models rely on oversimplified…
The mobility of carriers, as limited by their scattering with phonons, can now routinely be obtained from first-principles electron-phonon coupling calculations. However, so far, most computations have relied on some form of simplification…
We present here a theoretical method to determine the phononic contribution to the thermal conductance of nanoscale systems in the phase-coherent regime. Our approach makes use of classical molecular dynamics (MD) simulations to calculate…
Dc and ac transport properties as well as electric modulus spectra have been investigated for the samples LaMn$_{1-x}$Fe$_{x}$O$_3$ with compositions 0 $\leq x \leq$ 1.0. The bulk dc resistivity shows a temperature variation consistent with…
API Phonons is a Python software package to predict the transport dynamics of heat-carrying phonons. Using the powerful syntax of Python, this package provides modules and functions interfacing between different packages for atomistic…
The concepts of Feynman integrals in white noise analysis are used to construct the Feynman integrand for the harmonic oscillator in momentum space representation as a Hida distribution. Moreover it is shown that in a limit sense, the…
The variational approach, used by Feynman in the study of the polaron problem, is generalized to treat a system of N non-relativistic particles interacting with scalar and vector mesons. After integrating out the meson fields in the path…
The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) theory within second quantization representation of the Fock space, a novel numerically exact methodology to treat many-body quantum dynamics for systems containing…
In this paper we apply variational energy band theory to a form of the Holstein Hamiltonian in which the influence of lattice vibrations (optical phonons) on both local site energies (local coupling) and transfers of electronic excitations…
We present a comprehensive ab initio study of the influence of band structure corrections, particularly the electron effective mass, on the phonon-limited electron drift and Hall mobilities of GaAs. Our approach is based on the DFT+$U$…
Traditional theories of interfacial heat transfer by atomic vibrations, also known as phonons, do not explain how vibrational mode interactions contribute to interface conductance. Traditional methods also use the concept of phonons as…
We consider transport through a vibrating molecular quantum dot contacted to macroscopic leads acting as charge reservoirs. In the equilibrium and nonequilibrium regime, we study the formation of a polaron-like transient state at the…
In this work, we revisit the issue of the nature of electronic transport in nickel oxide (NiO) and show that the widely used model of free small polaron hopping, initially raised to characterize transport in high-purity samples, is not…