扶手椅型氮化镓纳米管电子结构与传输特性的研究（英文）  

A study on the electronic structures and transport properties of armchairs GaN nanotubes

作　　者：李恩玲[1] 崔真[1] 赵丹娜[1] 赵涛[1] 王雪文[2] 

机构地区：[1]西安理工大学理学院,西安710048 [2]西北大学信息科学与技术学院,西安710068

出　　处：《原子与分子物理学报》2015年第2期225-231,共7页Journal of Atomic and Molecular Physics

基　　金：国家自然科学基金专项基金项目(51042010);陕西省自然科学基金重点项目(2013JZ018)

摘　　要：本文采用密度泛函理论和非平衡格林函数对扶手椅型氮化镓纳米管(n,n)(2≤n≤10)的电子结构和输运性质进行了研究.结果表明,所有的扶手椅型氮化镓纳米管都是间接带隙半导体,带隙随着纳米管直径的增加而增加,并且得到了两极体系下氮化镓纳米管的电流-电压曲线.氮化镓纳米管的半导体特性随着纳米管直径的增加越来越明显,电子态密度和电子透射光谱都具有脉冲型尖峰并且最大峰值随着n的增加而增加.这说明电子态密度和电子透射光谱峰在能量范围内,有较好的对应关系.Electronic structures and transport properties of armchair GaN nanotubes （ n, n） （2≤n≤10） have been investigated using density functional theory （DFT） and non-equilibrium green′s function （NEGF）.The results show that all the armchairs GaN nanotubes are indirect band gap semiconductors .The band -gaps in-crease with the increase of nanotubes′diameters.The current-voltage curves of GaN nanotubes on two -probe systems have been obtained .The semiconducting properties of GaN nanotubes become more and more obvious with the increasing nanotube diameter .The electronic density of state and the electronic transmission spectra of two-probe system have pulse -type sharp peaks and the maximum values of peaks increase as n increases . There is a better corresponding relation between the peaks energy ranges of electronic density of states and the e -lectronic transmission spectra .

关 键 词：氮化镓纳米管 电子结构 传输特性 密度泛函理论 

分 类 号：O472.4[理学—半导体物理]