Related papers: A multiscale study of electronic structure and qua…
This paper introduces a novel method to account for quantum disorder effects into the classical drift-diffusion model of semiconductor transport through the localization landscape theory. Quantum confinement and quantum tunneling in the…
Spatially indirect electron-hole exciton condensates stabilized by interlayer Fock exchange interactions have been predicted in systems containing a pair of two-dimensional semiconductor or semimetal layers separated by a thin tunnel…
We explore the charge transport mechanism in organic semiconductors based on a model that accounts for the thermal intermolecular disorder at work in pure crystalline compounds, as well as extrinsic sources of disorder that are present in…
Grain boundaries play a major role for electron transport in graphene sheets grown by chemical vapor deposition. Here we investigate the electronic structure and transport properties of idealized graphene grain boundaries (GBs) in…
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…
We have developed a device fabrication process to pattern graphene into nanostructures of arbitrary shape and control their electronic properties using local electrostatic gates. Electronic transport measurements have been used to…
Low-energy transport measurements in Quantum Hall systems have been argued to be governed by emergent modular symmetries whose predictions are robust against many of the detailed microscopic dynamics. We propose the recently-observed…
Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalization. Using first principles calculations based on density functional theory (DFT)…
We present a systematic study of electron backscattering phenomena during conduction for graphene nanoribbons with single-vacancy scatterers and dimensions within the capabilities of modern lithographic techniques. Our analysis builds upon…
Silicon represents a common intrinsic impurity in graphene, commonly bonding to either three or four carbon neighbors respectively in a single or double carbon vacancy. We investigate the effect of the latter defect (Si-C$_4$) on the…
We present an overview of the measured transport properties of the two dimensional electron fluids in high mobility semiconductor devices with low electron densities, and of some of the theories that have been proposed to account for them.…
Due to random dopant fluctuations, the device-to-device variability is a serious challenge to emerging nanoelectronics. In this work we present theoretical formalisms and numerical simulations of quantum transport variability, based on the…
In this paper, we propose a combined modeling of molecular mechanics (MM) and the tight-binding (TB) approach, which enables us to study the effect of factors such as external local forces, constraints, and vacancy defects on electronic…
We provide a thorough study of a carbon divacancy, a fundamental but almost unexplored point defect in graphene. Low temperature scanning tunneling microscopy (STM) imaging of irradiated graphene on different substrates enabled us to…
A formalism is proposed to study the electronic and transport properties of graphene sheets with corrugations as the one recently synthesized. The formalism is based on coupling the Dirac equation that models the low energy electronic…
We provide a phenomenological formula which describes the low-frequency optical absorption of charge carriers in disordered systems with localization. This allows to extract, from experimental data on the optical conductivity, the relevant…
The quantum transport formalism based on tight-binding models is known to be powerful in dealing with a wide range of open physical systems subject to external driving forces but is, at the same time, limited by the memory requirement's…
For analyzing quantum transport in semiconductor devices, accurate electronic structures are critical for quantitative predictions. Here we report theoretical analysis of electronic structures of all III-V zinc-blende semiconductor…
We study the electron transport in metallic carbon nanotubes (CNTs) with realistic defects of different types. We focus on large CNTs with many defects in the mesoscopic range. In a recent paper we demonstrated that the electronic transport…
We report a first-principles based study of mesoscopic quantum transport in chemically doped graphene nanoribbons with a width up to 10 nm. The occurrence of quasibound states related to boron impurities results in mobility gaps as large as…