作者: Amir A. Farajian , Keivan Esfarjani , Yoshiyuki Kawazoe
DOI: 10.1103/PHYSREVLETT.82.5084
关键词: Lattice (order) 、 Atomic orbital 、 Closed and exact differential forms 、 Doping 、 Condensed matter physics 、 Voltage drop 、 Physics 、 Nanotube 、 Units of energy 、 Nonlinear system
摘要: 0l Vpa y i ai0 , (1) where the sum over lattice sites and 0 is restricted to nearest neighbors. We consider one p orbital per atom set value of hopping integral equal 1. (Experiments [6] show good agreement with theoretical results for Vp › 2.7 6 0.1 eV.) Henceforth, unit energy chosen be integral, unless otherwise specified. The Hubbard term UHdni added self-consistent treatment charge transfer at junction, dni change in occupation number site i, compared that bulk crystal. needed order obtain exact form potential drop especially when a large external difference applied two sides system. use experimental