Electromechanical coupling effect on electronic properties of double-walled boron nitride nanotubes  

作　　者：Zhu-Hua Zhang Wan-Lin Guo Boris I. Yakobson 

机构地区：[1]Department of Mechanical Engineering and Materials Science, Rice University [2]Key Laboratory for Intelligent Nano Materials and Devices of Ministry of Education and Institute of Nano Science, Nanjing University of Aeronautics and Astronautics

出　　处：《Acta Mechanica Sinica》2012年第6期1532-1538,共7页力学学报（英文版）

基　　金：supported by the 973 Program(2012CB933403 and 2013CB932604);the National Natural Science Foundation of China(11172124 and 91023026);Jiangsu Province Natural Science Foundation(BK2011722);MOE doctoral discipline Foundation(20113218120033);China and Jiangsu Province Postdoctoral Science Foundation(2012T50494,20110490132 and 1002015B);the Fundamental Research Funds for the Central Universities(NS2012067);supported by the National Science Foundation(CMMI and NIRT);the U.S.Army Research Office MURI(W911NF-11-1-0362)

摘　　要：We report on a first-principles study of a novel band modulation in zigzag double-walled boron nitride nan- otubes （DBNNTs） by applying radial strain and coupled ex- ternal electric field. We show that the band alignment be- tween the inner and outer walls of the DBNNTs can be tuned from type I to type II with increasing radial strain, accompa- nied with a direct to indirect band gap transition and a sub- stantial gap reduction. The band gap can be further signifi- cantly reduced by applying a transverse electric field. The coupling of electric field with the radial strain makes the field-induced gap reduction being anisotropic and more re- markable than that in undeformed DBNNTs. In particular, the gap variation induced by electric field perpendicular to the radial strain is the most remarkable among all the modu-lations. These tunable properties by electromechanical cou- pling in DBNNTs will greatly enrich their versatile applica- tions in future nanoelectronics.We report on a first-principles study of a novel band modulation in zigzag double-walled boron nitride nan- otubes （DBNNTs） by applying radial strain and coupled ex- ternal electric field. We show that the band alignment be- tween the inner and outer walls of the DBNNTs can be tuned from type I to type II with increasing radial strain, accompa- nied with a direct to indirect band gap transition and a sub- stantial gap reduction. The band gap can be further signifi- cantly reduced by applying a transverse electric field. The coupling of electric field with the radial strain makes the field-induced gap reduction being anisotropic and more re- markable than that in undeformed DBNNTs. In particular, the gap variation induced by electric field perpendicular to the radial strain is the most remarkable among all the modu-lations. These tunable properties by electromechanical cou- pling in DBNNTs will greatly enrich their versatile applica- tions in future nanoelectronics.

关 键 词：Boron nitrides nanotubes Radial deformation Electric field Band gap 

分 类 号：TB383.1[一般工业技术—材料科学与工程]