Cs doping effects on electronic structure of thin nanotubes

Computational Materials Science

Volumn 36, Issue 1-2, 2006, Pages 152-158

  Khazaei, Mohammad ^a   Farajian, Amir A ^a   Mizuseki, Hiroshi ^a   Kawazoe, Yoshiyuki ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

Adsorption; Carbon nanotube; Cesium; Field emission

Indexed keywords

CESIUM; DOPING (ADDITIVES); ELECTRONIC STRUCTURE; FERMI LEVEL; FIELD EMISSION DISPLAYS; SEMICONDUCTOR MATERIALS;

CS COLLISIONS; DENSITY FUNCTIONAL SIMULATIONS; PRISTINE CAPPED STRUCTURE;

NANOTUBES;

EID: 33645029504     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2005.03.024     Document Type: Conference Paper

References (37)

1. L.X. Zheng, M.J. O'connell, S.K. Doorn, X.Z. Liao, Y.H. Zhao, E.A. Akhadov, M.A. Hoffbauer, B.J. Roop, Q.X. Jia, R.C. Dye, D.E. Peterson, S.M. Huang, J. Liu, and Y.T. Zhu Nature Mater. 3 2004 673
2. P.M. Campbell, E.S. Snow, and J.P. Novak Appl. Phys. Lett. 81 24 2002 4586
3. Y. Tu, Z.P. Huang, D.Z. Wang, J.G. Wen, and Z.F. Ren Appl. Phys. Lett. 80 21 2002 4018
4. B.Q. Wei, R. Vajtai, Y. Jung, J. Ward, R. Zhang, G. Ramanath, and P.M. Ajayan Chem. Mater. 15 8 2003 1598
5. R.G. Lacerda, A.S. Teh, M.H. Yang, K.B.K. Teo, N.L. Rupesinghe, S.H. Dalal, K.K.K. Koziol, D. Roy, G.A.J. Amaratunga, W.I. Milne, M. Chhowalla, D.G. Hasko, F. Wyczisk, and P. Legagneux Appl. Phys. Lett. 84 2 2004 269
6. S. Han, and J. Ihm Phys. Rev. B 61 15 2000 9986
7. C. Kim, B. Kim, S.M. Lee, C. Jo, and Y.H. Lee Phys. Rev. B 65 16 2002 165418-1
8. A. Buldum, and J.P. Lu Phys. Rev. Lett. 91 23 2003 236801-1
9. V.T. Binh, S.T. Purcell, N. Garcia, and J. Doglioni J. Phys. Lett. 69 17 1992 2527
10. A. Maiti, J. Andzelm, N. Tanpipat, and P. von Allmen Phys. Rev. Lett. 87 15 2001 155502-1
11. A. Wadhawan, R.E. Stallcup II, and M. Perez Appl. Phys. Lett. 78 1 2001 108
12. D.-H. Kim, H.-R. Lee, M.-W. Lee, J.-H. Lee, Y.-H. Song, J.-G. Jee, and S.-Y. Lee Chem. Phys. Lett. 355 2002 53
13. S. Suzuki, C. Bower, Y. Watanabe, and O. Zhou Appl. Phys. Lett. 76 26 2000 4007
14. H. Shimoda, B. Gao, X.P. Tang, A. Kleinhammes, L. Fleming, Y. Wu, and O. Zhou Phys. Rev. Lett. 88 1 2002 015502-1
15. X. Liu, T. Pichler, M. Knupfer, and J. Fink Phys. Rev. B 67 12 2003 125403
16. G.-H. Jeong, A.A. Farajian, T. Hirata, R. Hatakeyama, K. Tohji, T.M. Briere, H. Mizuseki, and Y. Kawazoe Thin Solid Films 435 2003 307
17. G.-H. Jeong, A.A. Farajian, R. Hatakeyama, T. Hirata, T. Yaguchi, K. Tohji, H. Mizuseki, and Y. Kawazoe Phys. Rev. B 68 2003 075410
18. M. Khazaei, A.A. Farajian, H. Mizuseki, Y. Kawazoe, submitted for publication.
19. M. Khazaei, A.A. Farajian, G.-H. Jeong, T. Hirata, R. Hatakeyam, and Y. Kawazoe J. Phys. Chem. B 108 40 2004 15529
20. P. Ordejón, E. Artacho, and J.M. Soler Phys. Rev. B 53 1996 10441
21. J.M. Soler, E. Artacho, J.D. Gale, A. Garcia, J. Junquera, P. Ordejón, and D. Sánchez-Portal J. Phys.: Condens. Matter 14 2002 2745
22. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
23. N. Troullier, and J.L. Martins Phys. Rev. B 43 1991 8861
24. O.F. Sankey, and D.J. Niklewski Phys. Rev. B 40 1989 3979
25. D. Sánchez-Portal, E. Artacho, and J.M. Soler J. Phys.: Condens. Matter 8 1996 3859
26. I. Moullet, W. Andreon, and P. Giannozzi J. Chem. Phys. 90 1989 7306
27. A. Dreuw, and L.S. Cederbaum J. Chem. Phys. 111 1999 1476
28. D.P. DiVincenzo, and E.J. Mele J. Phys. B 32 1985 2538
29. N.W. Ashcroft, and N.D. Mermin Solid State Physics 1976 Saunders College Publishing
30. R. Ramprasad, P. von Allmen, and L.R.C. Fonseca Phys. Rev. B 60 1999 6023
31. J. Junquera, Ó. Paz, D. Sánchez-Portal, and E. Artacho Phys. Rev. B 64 2001 235111-1
32. C.G. Sánchez, A.Y. Lozovoi, and A. Alavi Mol. Phys. 102 2004 1045
33. J. Zhao, J. Han, and J.P. Lu Phys. Rev. B 56 19 2002 193401-1
34. S. Han, and J. Ihm Phys. Rev. B 66 24 2002 241402-1
35. Density of states is given for separate mesh points by the SIESTA code. The number of mesh points that cover the whole unit cell is controlled by cutoff energy. Local density of states is integrated between two energy values, in order to obtain the spatial distribution of the states. The lower and upper energy limits for the integration is fixed such that the energy of the desired states, HOMO; LUMO or any other state, is properly (taking into account energy broadening) confined between the limits.
36. K.A. Dean, and R. Chalamala J. Appl. Phys. 85 7 1999 3832
37. T. Miyake, and S. Saito Physica B 323 2002 219