Related papers: An efficient method for computing the electronic t…
We present a numerical method to solve the optimal transport problem with a quadratic cost when the source and target measures are periodic probability densities. This method is based on a numerical resolution of the corresponding…
We present an original multi-state projective diabatization scheme based on the Green's function formalism that allows the systematic mapping of many-body ab initio calculations onto effective excitonic models. This method inherits the…
The quantum behavior of charge carriers in semiconductor structures is often described in terms of the effective mass Schr\"{o}dinger equation, neglecting the rapid fluctuations of the wave function on the scale of the atomic lattice. For…
We present an implementation of the ballistic Landauer-B\"uttiker transport scheme in one-dimensional systems based on density functional theory (DFT) calculations within the full-potential linearized augmented plane-wave (FLAPW) method. In…
We study the radial flow of retarded Green's function of energy-momentum tensor and $R$-current of dual gauge theory in presence of generic higher derivative terms in bulk Lagrangian. These are first order non-linear Riccati equations. We…
Entropy regularized optimal transport and its multi-marginal generalization have attracted increasing attention in various applications, in particular due to efficient Sinkhorn-like algorithms for computing optimal transport plans. However,…
The intrinsic mobility degradation coefficient, contact resistance and the transconductance parameter of graphene field-effect transistors (GFETs) are extracted for different technologies by considering a novel transport model embracing…
The study explores perpendicular transport through macroscopically inhomogeneous three-dimensional disordered conductors using mesoscopic methods (real-space Green function technique in a two-probe measuring geometry). The nanoscale samples…
We study a class of second-order elliptic equations of divergence form, with discontinuous coefficients and data, which models the conductivity problem in composite materials. We establish optimal gradient estimates by showing the explicit…
We present a real-space method for first-principles nano-scale electronic transport calculations. We use the non-equilibrium Green's function method with density functional theory and implement absorbing boundary conditions (ABCs, also…
The chiral Luttinger liquid model for the edge dynamics of a two-dimensional electron gas in a strong magnetic field is derived from coarse-graining and a lowest Landau level projection procedure at arbitrary filling factors $\nu<1$ --…
The thermal properties of graphene-based materials are theoretically investigated. The fourth-nearest neighbor force constant method for phonon properties is used in conjunction with both the Landauer ballistic and the non-equilibrium…
In this paper, we study the quantum properties of a bilayer graphene with (asymmetry) line defects. The localized states are found around the line defects. Thus, the line defects on one certain layer of the bilayer graphene can lead to an…
Monitoring electronic properties of 2D materials is an essential step to open a way for applications such as electronic devices and sensors. From this perspective, Bernal bilayer graphene (BLG) is a fairly simple system that offers great…
We present a method to systematically study multi-photon transmission in one dimensional systems comprised of correlated quantum emitters coupled to input and output waveguides. Within the Green's function approach of the scattering matrix…
We derive a closed equation of motion for the one particle density matrix of a quantum system coupled to multiple baths using the Redfield master equation combined with a mean-field approximation. The steady-state solution may be found…
In this work, the low rank approximation concept is extended to the non-equilibrium Green's function (NEGF) method to achieve a very efficient approximated algorithm for coherent and incoherent electron transport. This new method is applied…
We have performed a theoretical study of electronic transport in single and bilayer graphene based on the standard linear-response (Kubo) formalism and continuum-model descriptions of the graphene band structure. We are focusing especially…
We propose a new procedure by using the recursive Green's functions which remove all the repetition terms from the time-independent perturbation series for finite-level quantum systems. These Green's functions are introduced as a…
We demonstrate that a simple phenomenological approach can be used to simulate electronic conduction in molecular wires under thermal effects induced by the surrounding environment. This "Landauer-B\"uttiker's probe technique" can properly…