相关论文: NANOTCAD2D: Two-dimensional code for the simulatio…
Because of its novel physical properties, two-dimensional materials have attracted great attention. From first-principle calculations and vibration frequenceis analysis, we predict a new family of two-dimensional materials based on the idea…
Structural distortions in nano-materials can induce dramatic changes in their electronic properties. This situation is well manifested in graphene, a two-dimensional honeycomb structure of carbon atoms with only one atomic layer thickness.…
We examine the impact of quantum confinement on the interaction potential between two charges in two-dimensional semiconductor nanosheets in solution. The resulting effective potential depends on two length scales, namely the thickness $d$…
The exceptional electronic, optical and chemical properties of two-dimensional materials strongly depend on the 3D atomic structure and crystal defects. Using Re-doped MoS2 as a model, here we develop scanning atomic electron tomography…
In this review, we discuss the impact of interfaces and heterojuctions on the electronic and thermoelectric transport properties of materials. We review recent progress in understanding electronic transport in two-dimensional (2D) materials…
We present an atomistic three-dimensional simulation of graphene nanoribbon field effect transistors (GNR-FETs), based on the self-consistent solution of the 3D Poisson and Schroedinger equation with open boundary conditions within the…
The recent emergence of lead-halide perovskites as active layer materials for thin film semiconductor devices including solar cells, light emitting diodes, and memristors has motivated the development of several new drift-diffusion models…
Using an approximate time-dependent density functional theory method, we calculate the absorption and luminescence spectra for hydrogen passivated silicon nanoscale structures with large aspect ratio. The effect of electron confinement in…
The electronic transport and the sensing performance of an individual SnO2 crossed nanowires device in a three-terminal field effect configuration were investigated using a combination of macroscopic transport measurements and Scanning…
This work is focused on the understanding of charging and discharging processes in silicon nanocrystal flash memories during program and erase operations through time-dependent numerical simulations. Time dependent simulations of the…
We present a comprehensive first-principles study of the electronic structure of 51 semiconducting monolayer transition metal dichalcogenides and -oxides in the 2H and 1T hexagonal phases. The quasiparticle (QP) band structures with…
We present a machine learning based model that can predict the electronic structure of quasi-one-dimensional materials while they are subjected to deformation modes such as torsion and extension/compression. The technique described here…
Nanoscience offers a unique opportunity to design modern materials from the bottom up, via low-cost, solution processed assembly of nanoscale building blocks. These systems promise electronic band structure engineering using not only the…
We study the low energy phase structure of SU(2) gauge theories in three-dimensional spacetime, at finite baryon density. The pseudoreality of representations of SU(2) permits an analytic study of a real baryon chemical potential, and the…
Electrostatic confinement in semiconductors provides a flexible platform for the emulation of interacting electrons in a two-dimensional lattice, including in the presence of gauge fields. This combination offers the potential to realize a…
Electron transport in nanoscale devices can often result in nontrivial spatial patterns of voltage and current that reflect a variety of physical phenomena, particularly in nonlocal transport regimes. While numerous techniques have been…
Semiconductor nanostructures based on two dimensional electron gases (2DEGs) have the potential to provide new approaches to sensing, information processing, and quantum computation. Much is known about electron transport in 2DEG…
We present a model to describe the spatiotemporal evolution of guided modes in semiconductor nanowires based on a coupled mode formalism. Light-matter interaction is modelled based on semiconductor Bloch equations, including many-particle…
We describe extensions to the siesta density functional theory (dft) code [30], for the simulation of isolated molecules and their absorption spectra. The extensions allow for: - Use of a multi-grid solver for the Poisson equation on a…
The optical response of quasi-one-dimensional systems is often dominated by tightly bound excitons, that significantly influence their basic electronic properties. Despite their importance for device performance, accurately predicting their…