Related papers: First-principles calculation method for electron t…
Significant progress on parameter-free calculations of carrier mobilities in real materials has been made during the past decade; however, the role of various approximations remains unclear and a unified methodology is lacking. Here, we…
We develop a simulation framework for electrostatic and transport modeling of 2D Topological insulator field-effect transistor (2D TIFETs), based solely on first-principles calculations using density functional theory (DFT). We find that…
Applications such as unbalanced and fully shuffled regression can be approached by optimizing regularized optimal transport (OT) distances, such as the entropic OT and Sinkhorn distances. A common approach for this optimization is to use a…
We prove a dispersive estimate for the one-dimensional Schroedinger equation, mapping between weighted $L^p$ spaces with stronger time-decay ($t^{-3/2}$ versus $t^{-1/2}$) than is possible on unweighted spaces. To satisfy this bound, the…
We study quantum transport properties of two-dimensional electron gases under high perpendicular magnetic fields. For this purpose, we reformulate the high-field expansion, usually done in the operatorial language of the guiding-center…
We prove that the distortion of any embedding into $L_1$ of the transportation cost space or earth mover distance over a $d$-dimensional grid $\{1,\dots m\}^d$ is $\Omega(\log N)$, where $N$ is the number of vertices and the implicit…
We propose a Schr\"odinger equation of arbitrary order for modeling charge transport in semiconductors operating in the ballistic regime. This formulation incorporates non-parabolic effects through the Kane dispersion relation, thereby…
We construct a spin-drift-diffusion model to describe spin-polarized electron transport in zincblende semiconductors in the presence of magnetic fields, electric fields, and off-diagonal strain. We present predictions of the model for…
As applied to the numerical simulation of electron transport and scattering processes in semiconductors an efficient model describing the scattering of electrons by the ionized impurities is proposed. On the example of GaAs at 77 and 300 K…
A first principle theory of charge transport in spatially inhomogeneous quantum systems composed of any finite number of particles and subject to weak electro-magnetic fields is developed. Simple analytical expressions for the linear…
In this paper, the exact transient quantum transport of non-interacting nanostructures is investigated in the presence of initial system-lead correlations and initial lead-lead correlations for a device system coupled to general electronic…
Staggered grid finite difference scheme is widely used for the first order elastic wave equation, which constitutes the basis for least-squares reverse time migration and full waveform inversion. It is of great importance to improve the…
Energy-transport equations for the transport of fermions in optical lattices are formally derived from a Boltzmann transport equation with a periodic lattice potential in the diffusive limit. The limit model possesses a formal gradient-flow…
The Landauer expression for computing current-voltage characteristics in nanoscale devices is efficient and widely applicable but not suited to transient phenomena and time dependent currents because it assumes that the charge carrier…
We present an ab initio approach to electronic transport in nanoscale systems which includes electronic correlations through the GW approximation. With respect to Landauer approaches based on density-functional theory (DFT), we introduce a…
We study the suppression of reflections in the numerical simulation of the time-dependent Schr\"odinger equation for strong-field problems on a grid using exterior complex scaling (ECS) as absorbing boundary condition. It is shown that the…
We consider the problem of electron transport along a one-dimensional disordered multiple-scattering conductor, and study the electron density for all the electronic levels. A model is proposed for the reduced density matrix of the system…
In this paper, we propose a mass conservative semi-Lagrangian finite difference scheme for multi-dimensional problems without dimensional splitting. The semi-Lagrangian scheme, based on tracing characteristics backward in time from grid…
The authors apply the generalized master equation to analyze time-dependent transport through a finite quantum wire with an embedded subsystem. The parabolic quantum wire and the leads with several subbands are described by a continuous…
Tracking the dynamics of physical systems in real time is a prime application of digital quantum computers. Using a trapped-ion system with up to six qubits, we simulate the real-time dynamics of a lattice gauge theory in 1+1 dimensions,…