Ab initio calculations on the open end of single-walled BN nanotubes

Chemical Physics Letters

Volumn 393, Issue 1-3, 2004, Pages 179-183

  Hou, Shimin ^a   Shen, Ziyong ^a   Zhang, Jiaxing ^a   Zhao, Xingyu ^a   Xue, Zengquan ^a  

^a PEKING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BORON DERIVATIVE; BORON NITRIDE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DIPOLE; ELECTRIC POTENTIAL; IONIZATION; MOLECULAR DYNAMICS; MOLECULAR PHYSICS; NANOTUBE;

EID: 3142562503     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.06.014     Document Type: Article

References (25)

1. Saito R., Dresselhaus G., Dresselhaus M.S. Physical Properties of Carbon Nanotubes. 1998;Imperial College Press, London
2. Blasé X., Rubio A., Louie S.G., Cohen M.L. Europhys. Lett. 28:1994;355
3. Blasé X., Rubio A., Louie S.G., Cohen M.L. Phys. Rev. B. 51:1994;6868
4. Xiang H.J., Yang Jinlong, Hou J.G., Zhu Qingshi Phys. Rev. B. 68:2003;035427
5. Javey Ali, Kim Hyoungsub, Brink Markus, Wang Qian, Ural Ant, Guo Jing, Mcintyre Paul, Mceuen Paul, Lundstrom Mark, Dai Hongjie Nat. Mater. 1:2002;241
6. Blasé X., Charlier J.-C., De Vita A., Car R. Appl. Phys. Lett. 70(2):1997;197
7. Meunier Vincent, Roland Christopher, Bernholc J., Buongiorno Nardelli Marco Appl. Phys. Lett. 81(1):2002;46
8. Cumings J., Zettl A. Kuzmany H. Electronic Properties of Molecular Nanostructures. 2001;577 AIP, Melville, NY
9. Bengu E., Marks L.D. Phys. Rev. Lett. 86(11):2001;2385
10. Sutton Adrian P. Electronic Structure of Materials. 1996;Oxford University Press Inc. New York
11. Becke A.D. Phys. Rev. A. 38:1988;3098
12. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785
13. Frisch M.J., Pople J.A., Binkley J.S. J. Chem. Phys. 80:1984;3265
14. Frisch M.J., et al. GAUSSIAN 03, Revision B03. 2003;Gaussian Inc. Pittsburg PA
15. Kudin K.N., Scuseria G.E. Chem. Phys. Lett. 289:1998;611
16. Kudin K.N., Scuseria G.E. Chem. Phys. Lett. 283:1998;61
17. Kudin K.N., Scuseria G.E. Phys. Rev. B. 61:2000;16440
18. Yazyev O.V., Kudin K.N., Scuseria G.E. Phys. Rev. B. 65:2002;205117
19. Pease R.S. Acta Crystallogr. 5:1952;356
20. Sabisch M., Kruger P., Pollmann J. Phys. Rev. B. 51(19):1995;13367
21. Pollmann J., Kruger P., Rohlfing M., Sabisch M., Vogel D. Appl. Surf. Sci. 104/105:1996;1
22. Hou Shimin, Shen Ziyong, Zhao Xingyu, Xue Zengquan Chem. Phys. Lett. 373:2003;308
23. Sun J.P., Zhang Z.X., Hou S.M., Zhang G.M., Gu Z.N., Zhao X.Y., Liu W.M., Xue Z.Q. Appl. Phys. A. 75(4):2002;479
24. Liu Weimin, Hou Shimin, Zhang Zhaoxiang, Zhang Gengmin, Gu Zhennan, Luo Ji., Zhao Xingyu, Xue Zengquan Ultramicroscopy. 94(3-4):2003;175
25. Hou Shimin, Zhang Zhaoxiang, Liu Weimin, Luo Ji, Zhang Gengmin, Gu Zhennan, Zhao Xingyu, Peng Lianmao, Wu Jinlei, Xue Zengquan Sci. China G. 46(1):2003;33