Related papers: Charge transport through interfaces: a tight-bindi…

Predicting electronic band structures from crystal structures is crucial for understanding structure-property correlations in materials science. First-principles approaches are accurate but computationally intensive. Recent years, machine…

Localized wave packet treatments of neutrino oscillations by various groups lead to mutually inconsistent predictions. The neutrino wave packet description arises as an approximate substitute for the evolution of an entangled state which is…

We obtain parameters for non-orthogonal and orthogonal TB models from two-atomic molecules for all combinations of elements of period 1 to 6 and group 3 to 18 of the periodic table. The TB bond parameters for 1711 homoatomic and…

Trapped ions are a promising technology for building scalable quantum computers. Not only can they provide a high qubit quality, but they also enable modular architectures, referred to as Quantum Charge Coupled Device (QCCD) architecture.…

Structuring materials is one mechanism to influence the thermal conductivity and thus thermoelectric efficiency. In order to investigate the scattering of phonons in multilayer structures we developed a beam matching technique, which is…

We propose a charge crystal model that captures all the essential physics of the high temperature superconductivity (HTS) in the long wavelength limit. Based on the recent transport and the far-infrared (far-IR) experiments, we argue that…

We propose a toy-model theory, that mimics various characteristic features of quantum mechanics. Unlike the toy-models previously studied in the literature, our toy-model allows for an observer to have a full knowledge of a system's real…

We present a three-band tight-binding (TB) model for describing the low-energy physics in monolayers of group-VIB transition metal dichalcogenides $MX_2$ ($M$=Mo, W; $X$=S, Se, Te). As the conduction and valence band edges are predominantly…

We put forward a gauge-invariant theoretical framework for studying time-resolved thermoelectric transport in an arbitrary multiterminal electronic quantum system described by a non-interacting tight-binding model. The system is driven out…

The coherent electronic transport phenomena through quantum devices is difficult to observe due to thermal smearing and dephasing, the latter induced by inelastic scattering by phonons or impurities. In other wave systems, the temperature…

The triple heterojunction TFET has been originally proposed to resolve TFET's low ON-current challenge. The carrier transport in such devices is complicated due to the presence of quantum wells and strong scattering. Hence, the full band…

Realistic thermoelectric modeling and simulation tools are needed to explain the experiments and for device design. In this paper, we present a simple computational technique to make use of rigorous band structure calculations in…

Quantum embedding methods have become a powerful tool to overcome deficiencies of traditional quantum modelling in materials science. However, while these are systematically improvable in principle, in practice it is rarely possible to…

We present a tight-binding potential for transition metals, carbon, and transition metal carbides, which has been optimized through a systematic fitting procedure. A minimal basis, including the s, p electrons of carbon and the d electrons…

Simulation of Electron Transport through two dimensional(2D) waveguide using Quantum Transport Boundary Method (QTBM) is done. Specifically, as an example the results of modeling L-shaped contact for a rectangular waveguide are presented.…

We propose a tight-binding model to investigate electronic transport properties of single helical protein molecules incorporating both the helical symmetry and the possibility of multiple charge transfer pathways. Our study reveals that due…

We present a model of electron transport through a random distribution of interacting quantum dots embedded in a dielectric matrix to simulate realistic devices. The method underlying the model depends only on fundamental parameters of the…

This paper reviews some selected approaches to the description of transport properties, mainly electroconductivity, in crystalline and disordered metallic systems. A detailed qualitative theoretical formulation of the electron transport…

Semiconductor device models are essential to understand the charge transport in thin film transistors (TFTs). Using these TFT models to draw inference involves estimating parameters used to fit to the experimental data. These experimental…

We explore band structures of one-dimensional open systems described by periodic non-Hermitian operators, based on continuum models and tight-binding models. We show that imaginary scalar potentials do not open band gaps but instead lead to…