화학공학소재연구정보센터
Applied Surface Science, Vol.237, No.1-4, 572-575, 2004
First-principles calculation of field emission from adsorbed atom on metallic electrode
We present calculations of field emission current using the first-principles recursion-transfer-matrix (RTM) method with nonlocal pseudopotentials. The original boundary condition of the RTM method is modified to express a constant electric field deep into a vacuum region. We analyze field emission from an Al atom adsorbed on a metallic electrode and show the microscopic distributions of the electron emission current and the potential barrier for the system. (C) 2004 Elsevier B.V. All rights reserved.