Structural and electronic properties of the TiC nanotubes: Density functional-based tight binding calculations

Physica E: Low-Dimensional Systems and Nanostructures

Volumn 30, Issue 1-2, 2005, Pages 164-168

  Enyashin, A N ^a   Ivanovskii, A L ^a  

^a INSTITUTE OF SOLID STATE CHEMISTRY   (Russian Federation)

Author keywords

Density functional theory; Electronic properties; Nanotubes; Titanium carbide

Indexed keywords

BAND STRUCTURE; BINDING ENERGY; CRYSTALLINE MATERIALS; DENSITY (SPECIFIC GRAVITY); ELECTRONIC PROPERTIES; PROBABILITY DENSITY FUNCTION; TITANIUM CARBIDE;

DENSITY FUNCTION THEORY; DENSITY FUNCTIONAL-BASED TIGHT BINDING (DFTB) METHOD; DENSITY OF STATES; ELECTRONIC BANDS;

NANOTUBES;

EID: 27744568669     PISSN: 13869477     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physe.2005.08.004     Document Type: Article

References (37)

1. H.W. Kroto, J.H. Heath, S.C. O'Brien, R.F. Curl, and R.E. Smalley Nature (London) 318 1985 162
2. S. Iijima Nature (London) 354 1991 56
3. R. Saito, G. Dresselhaus, and M.S. Dresselhaus Physical Properties of Carbon Nanotubes 1998 Imperial College Press London
4. P.J.F. Harris Carbon Nanotubes and Related Structures: New Materials for the Twenty-first Century 1999 Cambridge University Press Cambridge
5. R. Tenne, and C.N.R. Rao Phil. Trans. R. Soc. Lond. A 362 2004 2099
6. M. Remskar Adv. Mater. 16 2004 1497
7. G.S. Zacharova, V.L. Volkov, V.V. Ivanovskaya, and A.L. Ivanovskii Nanotubes and Related Nanostructures of Metal Oxides 2005 Ural Branch of RAS Ekaterinburg
8. H. Goldschmidt Interstitial Alloys 1967 Butterworths London
9. L.E. Toth Transition Metal Carbides and Nitrides 1971 Academic Press NY, London
10. V.A. Gubanov, A.L. Ivanovskii, and V.P. Zhukov Electronic Structure of Refractory Transition-Metal Carbides and Nitrides 1994 Cambridge University Press Cambridge
11. A.I. Gusev, and A.A. Rempel Nanocrystalline Materials 2004 Cambridge International Science Publishing Cambridge
12. A. Fukunaga, S. Chu, and M.E. McHenry J. Mater. Sci. Lett. 18 1999 431
13. L. Shi, Y. Gu, L. Chen, Z. Yang, J. Ma, and Y. Qian Chem. Lett. 33 2004 56
14. E.W. Wong, B.W. Maynor, L.D. Burns, and C.M. Lieber Chem. Mater. 8 1996 2041
15. S.R. Qi, X.T. Huang, Z.W. Gan, X.X. Ding, and Y. Cheng J. Crystal Growth 219 2000 485
16. C.H. Liang, G.W. Meng, W. Chen, Y.W. Wang, and D.L. Zhang J. Crystal Growth 220 2000 296
17. X. Wang, J. Lu, P. Gou, and Y. Xie Chem. Lett. 31 2002 820
18. K. Tang, G. Shen, D. Chen, C. An, C. Wang, and Y. Qian Chem. Lett. 32 2003 116
19. Y. Zhang, T. Ichihashi, E. Landree, F. Nihey, and S. Iijima Science 285 1999 1719
20. B.C. Guo, R.P. Kerns, and A.W. Castleman Science 255 1992 1411
21. M. Rohmer, M. Bernard, and J.M. Poblet Chem. Rev. 10 2000 495
22. Y. Gu, L. Chen, Z. Li, Y. Qian, and Y. Zhang Carbon 42 2004 219
23. Y. Bai, X. Feng, B. Lu, C. Wang, Y. Qi, Y. Liu, B. Zhu, and Y. Wang Chem. Phys. Lett. 388 2004 58
24. R.L.D. Whitby, W.K. Hsu, Y.Q. Zhu, H.W. Kroto, and D.R.M. Walton Phil. Trans. R. Soc. Lond. A 362 2004 2127
25. B. Cao, K. Suenaga, T. Okazaki, and H. Shinohara J. Phys. Chem. B 106 2002 9295
26. K. Iwasaki, S. Hino, D. Yoshimura, B. Cao, T. Okazaki, and H. Shinohara Chem. Phys. Lett. 397 2004 169
27. T. Yildirim, J. Iniguez, S. Ciraci, arXiv.cond-mat/0505046, 2005.
28. S. Dag, E. Durgun, and S. Ciraci Phys. Rev. B 69 2004 R121407
29. H. Oymak, and S. Erkoc Chem. Phys. 80 2004 277
30. C.K. Yang, J. Zhao, and J.P. Lu Phys. Rev. Lett. 90 2003 257203
31. T. Yildirim, and S. Ciraci Phys. Rev. Lett. 94 2005 175501
32. L. Shi, Y. Gu, L. Chen, Z. Yang, J. Ma, and Y. Qian Carbon 43 2005 195
33. J.C. Charlier, Ph. Lambin, and T.W. Ebbessen Phys. Rev. B 54 1996 R8377
34. J. Tang, L.C. Qin, T. Sasaki, M. Yudasaka, A. Matsushita, and S. Iijima Phys. Rev. Lett. 85 2000 1887
35. M.J. López, A. Rubio, J.A. Alonso, L.C. Qin, and S. Iijima Phys. Rev. Lett. 86 2001 3056
36. G. Seifert, D. Porezag, and T. Frauenheim Int. J. Quant. Chem. 58 1996 185
37. D. Porezag, T. Frauenheim, T. Kohler, G. Seifert, and R. Kaschner Phys. Rev. B 51 1995 12947