Related papers: Full Counting Statistics of Phonon Transport in Di…
This work presents recent the progress in the development of the Concurrent Atomistic-Continuum (CAC) method for coarse-grained space- and time-resolved atomistic simulations of phonon transport. Application examples, including heat pulses…
We present the itinerant coherent-potential approximation(ICPA), an analytic, translationally invariant and tractable form of augmented-space-based, multiple-scattering theory in a single-site approximation for harmonic phonons in realistic…
We compute the DC and the optical conductivity of graphene for finite values of the chemical potential by taking into account the effect of disorder, due to mid-gap states (unitary scatterers) and charged impurities, and the effect of both…
Quantum transport is often characterized not just by mean observables like the particle or energy current, but by their fluctuations and higher moments, which can act as detailed probes of the physical mechanisms at play. However,…
The coherent potential approximation (CPA) is extended to describe satisfactorily the motion of particles in a random potential which is spatially correlated and smoothly varying. In contrast to existing cluster-CPA methods, the present…
Using Gaussian integral transform techniques borrowed from functional-integral field theory and the replica trick we derive a version of the coherent-potential approximation (CPA) suited for describing ($i$) the diffusive (hopping) motion…
We assess the accuracy of the cumulant expansion (CE) method, combined with the independent-particle approximation (IPA), for calculating charge mobility in electron-phonon systems. As representative testbeds, we consider the Peierls and…
We report the investigation of conductance fluctuation and shot noise in disordered graphene systems with two kinds of disorder, Anderson type impurities and random dopants. To avoid the brute-force calculation which is time consuming and…
While the coherent potential approximation (CPA) is the prevalent method for the study of disordered electronic systems, it fails to capture non-local correlations and Anderson localization. To incorporate such effects, we extend the dual…
We extend the single-site coherent potential approximation (CPA) to include the effects of non-local disorder correlations (alloy short-range order) on the electronic structure of random alloy systems. This is achieved by mapping the…
We present a new method for predicting effective thermal conductivity ($\kappa_{\textrm{eff}}$) in materials, informed by ${ab\,initio}$ material property simulations. Using the Boltzmann transport equation in a Self-Adjoint Angular Flux…
In the pursuit of advanced ceramic materials with exceptional irradiation-resistance and high-temperature tolerance for nuclear applications, compositionally complex carbides (CCCs) have emerged as a highly promising class of candidate…
For the nanoscale structures, disorder scattering plays a vital role in the carriers' transport, including electrons and high-frequency phonons. The capability for effectively treating the disorders, including both diagonal and off-diagonal…
We analyze the full transport statistics of graphene with smooth disorder at low dopings. First we consider the case of 1D disorder for which the transmission probability distribution is given analytically in terms of the graphene-specific…
We investigate the transport of electrons in disordered and pristine graphene devices. Fano shot noise, a standard metric to assess the mechanism for electronic transport in mesoscopic devices, has been shown to produce almost the same…
The transport of sound and heat, in the form of phonons, can be limited by disorder-induced scattering. In electronic and optical settings the introduction of chiral transport, in which carrier propagation exhibits parity asymmetry, can…
We study the infrared conductivity of graphene at finite chemical potential and temperature taking into account the effect of phonons and disorder due to charged impurities and unitary scatterers. The screening of the long-range Coulomb…
Cumulant mapping has been recently suggested [Frasinski, Phys. Chem. Chem. Phys. 24, 207767 (2022)] as an efficient approach to observing multi-particle fragmentation pathways, while bypassing the restrictions of the usual…
The complete characterisation of the charge transport in a mesoscopic device is provided by the Full Counting Statistics (FCS) $P_t(m)$, describing the amount of charge $Q = me$ transmitted during the time $t$. Although numerous systems…
Time-dependent driving influences the quantum and thermodynamic fluctuations of a system, changing the familiar physical picture of electronic noise which is an important source of information the about microscopic mechanism of quantum…