First-principles Study of Field Emissions from Natrium-Encapsulated Boron-Nitride Nanotube in a Perpendicular Geometry  

封装钠的硼氮纳米管在垂直构型下场发射的第一性原理研究

作　　者：高强[1] 胡双林[1] 李斌[1] 

机构地区：[1]中国科学技术大学合肥微尺度物质科学国家实验室,合肥230026

出　　处：《Chinese Journal of Chemical Physics》2010年第5期553-557,621,共6页化学物理学报（英文）

摘　　要：The field emission from pure boron-nitride nanotube and boron-nitride nanotube encapsu- lated with natrium atoms with the electric field perpendicular to the axis of nanotubes is simulated based on a self-consistent method using the density-functional formalism. It has been found that the nearly-free-electron states in boron-nitride nanotube would perform very well in field emissions after natrium atom encapsulation. The characters of total energy distribution curves are analyzed to seek the function of nearly-free-electron states in the field emission, with special attention to response of the emission current to the external electric field. At last, the perpendicular emission geometry is found to possess a very sensitive response degree which is supposed to be related to specific expansion orientation of the nearly-free-electron states in this system.

关 键 词：Field emission Boron-nitride nanotube Nearly-free-electron state Response 

分 类 号：O[理学]