Electronic transport properties of zigzag carbon- and boron-nitride-nanotube heterostructures
作者： P. Zhao , D.S. Liu , Y. Zhang , Y. Su , H.Y. Liu
DOI: 10.1016/J.SSC.2012.03.018
关键词: Condensed matter physics 、 Quantum transport 、 Boron nitride nanotube 、 Density functional theory 、 Hamiltonian (quantum mechanics) 、 Tube length 、 Heterojunction 、 Materials science 、 Zigzag 、 Carbon nanotube 、 Nanotechnology
摘要: Abstract Using first-principles density functional theory and non-equilibrium Green's function formalism for quantum transport calculation, we have investigated the electronic properties of heteronanotubes by joining a zigzag (6,0) carbon nanotube boron nitride with different atomic compositions joint configurations. Our results show that composition configuration affect strongly properties. Obvious negative differential resistance behavior large rectifying are obtained in heterostructure certain configuration. Moreover, tube length radius can observed NDR behaviors. The behaviors explained terms evolution transmission spectrum applied bias combined molecular projected self-consistent Hamiltonian states analysis.
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sci-hub.se 参考文章(29)
G Dresselhaus, R Saito, M S Dresselhaus, Physical properties of carbon nanotubes ,(1998)
S Azevedo, R de Paiva, J R Kaschny, Stability and electronic structure of BxNyCznanotubes Journal of Physics: Condensed Matter. ,vol. 18, pp. 10871- 10879 ,(2006) , 10.1088/0953-8984/18/48/014
X. Blase, J.-C. Charlier, A. De Vita, R. Car, Theory of composite BxCyNz nanotube heterojunctions Applied Physics Letters. ,vol. 70, pp. 197- 199 ,(1997) , 10.1063/1.118354
X Blase, A Rubio, S. G Louie, M. L Cohen, Stability and Band Gap Constancy of Boron Nitride Nanotubes EPL. ,vol. 28, pp. 335- 340 ,(1994) , 10.1209/0295-5075/28/5/007
Xiao-Fei Li, Ke-Qiu Chen, Lingling Wang, Meng-Qiu Long, B. S. Zou, Z. Shuai, Effect of length and size of heterojunction on the transport properties of carbon-nanotube devices Applied Physics Letters. ,vol. 91, pp. 133511- ,(2007) , 10.1063/1.2790839
Y. Zhang, H. Gu, K. Suenaga, S. Iijima, Heterogeneous growth of BCN nanotubes by laser ablation Chemical Physics Letters. ,vol. 279, pp. 264- 269 ,(1997) , 10.1016/S0009-2614(97)01048-8
K Suenaga, C Colliex, N Demoncy, A Loiseau, H Pascard, F Willaime, Synthesis of Nanoparticles and Nanotubes with Well-Separated Layers of Boron Nitride and Carbon Science. ,vol. 278, pp. 653- 655 ,(1997) , 10.1126/SCIENCE.278.5338.653
Mads Brandbyge, José-Luis Mozos, Pablo Ordejón, Jeremy Taylor, Kurt Stokbro, Density-functional method for nonequilibrium electron transport Physical Review B. ,vol. 65, pp. 165401- ,(2002) , 10.1103/PHYSREVB.65.165401
Jeremy Taylor, Hong Guo, Jian Wang, Ab initio modeling of quantum transport properties of molecular electronic devices Physical Review B. ,vol. 63, pp. 245407- ,(2001) , 10.1103/PHYSREVB.63.245407
Aijun Du, Ying Chen, Zhonghua Zhu, Gaoqing Lu, Sean C Smith, None, C-BN Single-Walled Nanotubes from Hybrid Connection of BN/C Nanoribbons: Prediction by ab initio Density Functional Calculations Journal of the American Chemical Society. ,vol. 131, pp. 1682- 1683 ,(2009) , 10.1021/JA809053X