Electronic Properties of Boron Nanotubes under Uniaxial Strain: a DFT study  

作　　者：PAN Li-Jun JIA Yu SUN Qiang HU Xing 潘立军;贾瑜;孙强;胡行(School for Physics and Engineering,Zhengzhou University,Zhengzhou 450052;Laboratory for Clean Energy and Quantum Structures,Zhengzhou University,Zhengzhou 450052;Department of Physics,Zhengzhou Normal University,Zhengzhou 450044)

机构地区：[1]School for Physics and Engineering,Zhengzhou University,Zhengzhou 450052 [2]Laboratory for Clean Energy and Quantum Structures,Zhengzhou University,Zhengzhou 450052 [3]Department of Physics,Zhengzhou Normal University,Zhengzhou 450044

出　　处：《Chinese Physics Letters》2011年第8期250-253,共4页中国物理快报（英文版）

基　　金：the National Natural Science Foundation of China under Grant No 10974182;the Outstanding Young Foundations in Henan Province.

摘　　要：Electronic structures of a uniaxially stretched boron nanotube(BNT)are studied by the density functional theory(DFT)and compared with a zigzag single-walled carbon nanotube(CNT).It is verified that modifications of the electronic band structures of CNTs may be classified into three patterns depending on their helicity under the applied strain up to 20%.However,for the BNT,the partial boron bonds will be broken as the applied strain is more than 10%,indicating its poor deformation ability as compated with CNTs.Moreover,the band gap of the BNT keeps or converts to zero regardless of its chirality as the applied strain increases,which is drastically distinct from the CNT.The special behavior of the BNT implies a potential application as an excellent stress sensor.

关 键 词：UNIAXIAL BORON STRAIN 

分 类 号：TB3[一般工业技术—材料科学与工程]