First-principles study on electron field emission from nanostructures

2014/11/18 by Hyon‐Chol Choe, Nam‐Hyok Kim, Choe, Hyon-Chol +5
Engineering · Materials Science · #Carbon Nanotubes in Composites #FOS: Physical sciences #Graphene research and applications #Materials Science (cond-mat.mtrl-sci) #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Molecular Junctions and Nanostructures

paper · pdf · doi:10.48550/arxiv.1411.4697

openalex publication_date 2014/11/18 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

A first-principles approach is introduced to calculate electron field emission characteristics of nanostructures, based on the nonequilibrium Green function technique combined with the density functional theory. The method employs atomic-like basis orbitals with large confinement radii and lithium anode to describe the electron density in the vacuum between the nanostructure tip and the anode, so takes the presence of emitted current into account. The simulation results on a capped single-walled carbon nanotube reproduce the experimental trend closely, in particular, the current saturation and the deviation from the Fowler-Nordheim behavior.

Related

• Challenges for first-principles methods in theoretical and computational physics: multiple excitations in many-electrons systems and the Aharonov-Bohm effect in carbon nanotubes
• Atomic decoration for improving the efficiency of field electron emission of carbon nanotubes
• Ab initio Self-consistent GW Calculations in Non-Equilibrium Devices: Auger Recombination and Electron-Electron Scattering
• Confirmation of Transit-Time Limited Field Emission in Advanced Carbon Materials with Fast Pattern Recognition Algorithm
• First Principle Study of Electron Transport in Single-Walled Carbon Nanotubes of 2 to 22 nm in Length