摘要
半金属性在以自旋为基础的电子学中具有潜在的应用价值。本文利用第一原理计算描述了纳米尺寸GNR的半金属性质,计算结果表明:对锯齿型石墨烯纳米带加一个均匀一致的横向电场时,即可使锯齿型纳米带转变为半金属,实现体系半导体-半金属转变。这一结果对理解电场和固体中电子自旋自由度相互作用方向具有科学意义,同时为制备石墨片基纳米尺度自旋器件开辟了道路。
The property of semimetal has potential application value in spin-based electronics.This paper predicts half-metallicity in nanometre-scale graphene ribbons by using first-principle calculation.The result shows that when the crenellated graphene nanoribbons is acted with a uniform compact transverse field,it transforms into semimetal and achieves the transition from semiconductor to semimetal.The result has a scientific significance in the interaction of electric field and spin degrees of solid,at the same time,it provides a practical way to prepare graphite nano scale spin devices.
出处
《长春大学学报》
2010年第6期13-14,20,共3页
Journal of Changchun University
关键词
密度泛函理论
石墨烯纳米带
第一原理
density functional theory
graphene nanoribbons
first-principle
