Related papers: First-principles study on electron field emission …
Thermoelectrics are a promising class of materials for renewable energy owing to their capability to generate electricity from waste heat, with their performance being governed by a competition between charge and thermal transport. A…
We present an overview of electronic device modeling using non-equilibrium Green function techniques. The basic approach developed in the early 1970s has become increasingly popular during the last 10 years. The rise in popularity was…
Semiconducting field emitters present some interesting features (e.g.; self-limited electron emission) for both scientific interest and industrial applications. The analysis of experimental results and device design has been restrained by…
A number of diverse bulk properties of the zincblende and wurtzite III-V nitrides AlN, GaN, and InN, are predicted from first principles within density functional theory using the plane-wave ultrasoft pseudopotential method, within both the…
Accurate band offsets are essential for predictive continuum modeling of nanostructures such as quantum wells and quantum dots formed in strained Si/Si1-xGex and Ge/Si1-xGex heterostructures. Experimental offset data for these systems…
The classic theory of electron field emission from a cold metal surface due to Fowler and Nordheim (FN) is re-examined and found to violate the validity criteria for the WKB approximation, for electric fields greater than about 1V per…
Field emission (FE) and the electronic-states origin of graphitic nanostructures were investigated by first-principles calculations based on time-dependent density-functional theory. We find that the FE current from graphitic ribbons…
We formulate and implement Cyclic Density Functional Theory (Cyclic DFT) -- a self-consistent first principles simulation method for nanostructures with cyclic symmetries. Using arguments based on Group Representation Theory, we rigorously…
This review article provides a bird's-eye view of what first-principles based methods can contribute to next-generation device design and simulation. After a brief overview of methods and capabilities in the area, we focus on published work…
The one-dimensional nanostructures have been used as the electrode to decrease the operation voltage where strong electric field is needed to function the device in the gaseous electronics. In this letter, a novel electrode scheme is…
The origin of visible light emission from nanostructures has been a subject of an intense debate since the early work by L. E. Brus and A. P. Alivisatos in 1980s. The intense research that followed has paved the way towards applications of…
Current theoretical description of field-induced electron emission remains mostly bounded by the classic Fowler-Nordheim (FN) framework developed nearly one century ago. For the emerging class of two-dimensional (2D) materials, many basic…
Here we address a theoretical study on the behaviour of electronic states of heterojunctions and quantum dots based on carbon nanotubes under magnetic fields. Emphasis is put on the analysis of the local density of states, the conductance,…
We report the observation and characterization of field emission current from individual single- and few-layer graphene flakes laid on a flat SiO2/Si substrate. Measurements were performed in a scanning electron microscope chamber equipped…
A power efficient and stable field emission (FE) has been reported here from Nickel Oxide nanostructures. Modification in device geometry and surface micro- (nano-) structure has been found helpful in addressing the bottlenecks in achieving…
We propose a first-principles method of efficiently evaluating electron-transport properties of very long systems. Implementing the recursive Green's function method and the shifted conjugate gradient method in the transport simulator based…
Field emission from metals underpinned early vacuum-tube technology, and recent nanoscale engineering made field-emission devices compatible with modern silicon platforms. However, the limited tunability of electron transport in metals has…
Photoemission driven by a strong electric field of near-infrared or visible light, referred to as strong-field photoemission, produces attosecond electron pulses that are synchronized to the waveform of the incident light, and this…
Focus of the chapter is on the theoretical approaches aimed to analyze thermoelectric properties at the nanoscale. We discuss several relevant theoretical approaches for different set-ups of nano-devices providing estimations of the…
We report the observation of field emission from InP nanocrystals epitaxially grown on an array of p-Si nanotips. We prove that field emission can be enhanced by covering the InP nanocrystals with graphene. The measurements are performed…