物理学报2009，Vol.58Issue(z1)：254-258,5.
碳掺杂硼氮纳米管电子场发射的第一性原理研究
First principles study of electron field emission from the system of BN nano tuber capped and doped with carbon atom
摘要
Abstract
The electron field emission performances of BN nano tube (BNNT) capped and doped with one carbon atom are investigated through the first principles calculations. The results show that the electronic structures of the systems change obviously. The shift of margin of the density of states (DOS) towards low energy position increases as the applied electric field and the highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gap decrease. The analyses of DOS, local DOS,HOMO, LUMO and their gap consistently indicate that CeqBNNT system is more propitious to the electron field emission than other systems.关键词
硼氮纳米管/碳掺杂/第一性原理Key words
BN nano tube/carbon atom doping/first principles分类
数理科学引用本文复制引用
陈国栋,王六定,安博,杨敏..碳掺杂硼氮纳米管电子场发射的第一性原理研究[J].物理学报,2009,58(z1):254-258,5.基金项目
国家自然科学基金(批准号:50771082,60776822)和西北工业大学研究生创业种子基金(批准号:200863)资助的课题.Project supported by the National Natural Science Foundation of China (Grand Nos. 50771082, 60776822) and the Graduate Starting Seed Foundation of Northwestern Polytechnical University, China (Grand No. 200863). （批准号:50771082,60776822）
