Related papers: Scalable first-principles-informed quantum transpo…
Transport theory is an efficient approach to derive an effective theory for the soft modes of QCD at high temperature. It is known that the leading order operators of this theory can be obtained from (semi-classical) kinetic equations of…
The exotic properties of two-dimensional (2D) materials and 2D heterostructures, built by forming heterogeneous multi-layered stacks, have been widely explored across a number of subject matters following the goal to invent, design, and…
Two-dimensional (2D) nanoparticle films are a new class of materials with interesting physical properties and applications ranging from nanoelectronics to sensing and photonics. The importance of conducting nanoparticle films makes the…
We present a scattering approach for the study of the transport and thermodynamics of quantum systems strongly coupled to their thermal environment(s). This formalism recovers the standard non-equilibrium Green's function expressions for…
We introduce a new quantum transport formalism based on a map of a real 3-dimensional lead-conductor-lead system into an effective 1-dimensional system. The resulting effective 1D theory is an in principle exact formalism to calculate the…
We compute direct current (dc) thermoelectric transport coefficients in strongly coupled quantum field theories without long lived quasiparticles, at finite temperature and charge density, and disordered on long wavelengths compared to the…
Charge migration is a ubiquitous phenomenon with profound implications throughout many areas of chemistry, physics, biology and materials science. The long-term vision of designing functional materials with tailored molecular scale…
We present a Machine Learning approach to solve electronic quantum transport equations of one-dimensional nanostructures. The transmission coefficients of disordered systems were computed to provide training and test datasets to the…
Here, we employ a numerical approach to investigate the transport and conductance characteristics of a quantum point contact. A quantum point contact is a narrow constriction of a width comparable to the electron wavelength defined in a…
Recent discovery of new materials for thermoelectric energy conversion is enabled by efficient prediction of materials' performance from first-principles, without empirically fitted parameters. The novel simplified approach for computing…
A recently developed model that unifies the ballistic and diffusive transport mechanisms is applied in a theoretical study of carrier transport across potential barriers at grain boundaries in microcrystalline semiconducting materials. In…
We discuss effects of anisotropic scattering in transport properties of ultracold atoms in three-dimensional optical potentials. Within the realm of the first Born approximation, we calculate the self energy, the scattering mean free time,…
In this paper, we will critically discuss recent theoretical and experimental developments on the transport of one dimensional quantum systems. In particular, we will focus on open issues and controversial results related to the finite…
We present an ab initio inelastic quantum transport approach based on maximally localized Wannier functions. Electronic-structure properties are calculated with density-functional theory in a planewave basis, and electron-vibration coupling…
We construct a scattering theory of weakly nonlinear thermoelectric transport through sub-micron scale conductors. The theory incorporates the leading nonlinear contributions in temperature and voltage biases to the charge and heat…
Important recent advances in transmission electron microscopy instrumentation and capabilities have made it indispensable for atomic-scale materials characterization. At the same time, the availability of two-dimensional materials has…
To study the ballistic transport of charge carriers in nano-structured quantum devices, a highly efficient numerical technique is developed, which provides continuous transmission spectra for arbitrarily complex potential geometries in two…
In ballistic transport, the movement of charged carriers is essentially unimpeded by scattering events. In this limit, microscopic parameters such as crystal momentum, spin and quantum phases are well conserved, allowing electrons to…
We investigate quantum transport in aligned carbon nanotube (CNT) fibers fabricated via solution spinning, focusing on the roles of structural dimensionality and quantum interference effects. The fibers exhibit metallic behavior at high…
This paper develops a scattering theory for the asymmetric transport observed at interfaces separating two-dimensional topological insulators. Starting from the spectral decomposition of an unperturbed interface Hamiltonian, we present a…