Theoretical study on electronic and electrical properties of nanostructural ZnO

Japanese Journal of Applied Physics

Volumn 47, Issue 4 PART 2, 2008, Pages 2999-3006

  Zhu, Zhigang ^a   Chutia, Arunabhiram ^a   Sahnoun, Riadh ^a   Koyama, Michihisa ^a   Tsuboi, Hideyuki ^a   Hatakeyama, Nozomu ^a   Endou, Akira ^a   Takaba, Hiromitsu ^a   Kubo, Momoji ^a   Del Carpio, Carlos A ^a   Miyamoto, Akira ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

DFT; Electrical conductivity; Electronic structure; Nanotube; Tight binding quantum chemistry; ZnO

Indexed keywords

BINDING ENERGY; CHEMISTRY; DENSITY FUNCTIONAL THEORY; ELECTRIC CONDUCTIVITY; ELECTRIC PROPERTIES; ELECTRON MOBILITY; ELECTRONIC STRUCTURE; ENERGY GAP; FULLERENES; GALLIUM ALLOYS; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; NANOTUBES; OXYGEN; OXYGEN VACANCIES; QUANTUM THEORY; SEMICONDUCTING ZINC COMPOUNDS; SEMICONDUCTOR MATERIALS; STEREOCHEMISTRY; ZINC ALLOYS; ZINC OXIDE;

BAND GAPS; COHESIVE ENERGIES; DFT; ELECTRICAL CONDUCTIVITIES; ELECTRICAL CONDUCTIVITY; ELECTRICAL PROPERTIES; GRAPHITIC SHEETS; PERIODIC; QUANTUM CHEMISTRY METHODS; RELATIVE STABILITIES; SEMICONDUCTOR PROPERTIES; SINGLE WALLS; SUPERCELL APPROACHES; TIGHT-BINDING QUANTUM CHEMISTRY; ZIG-ZAG; ZNO; ZNO CLUSTERS; ZNO NANOTUBES;

ELECTRIC NETWORK ANALYSIS;

EID: 54249133475     PISSN: 00214922     EISSN: 13474065     Source Type: Journal    
DOI: 10.1143/JJAP.47.2999     Document Type: Article

References (83)

1. L. E. Greene, B. D. Yuhas, M. Law, D. Zitoun, and P. Yang: Inorg. Chem. 45 (2006) 7535.
2. B. S. Ong, C. Li, Y. Li, Y. Wu, and R. Loutfy: J. Am. Chem. Soc. 129 (2007) 2750.
3. G. Sberveglieri, S. Groppelli, P. Nelli, A. Tintinelli, and G. Giunta: Sens. Actuators B 25 (1995) 588.
4. X. Chu, D. Jiang, A. B. Djurisic, and Y. H. Leung: Chem. Phys. Lett. 401 (2005) 426.
5. L. Liao, H. B. Lu, J. C. Li, H. He, D. F. Wang, D. J. Fu, C. Liu, and W. F. Zhang: J. Phys. Chem. C 111 (2007) 1900.
6. L. C. Tien, P. W. Sadik, D. P. Norton, L. F. Voss, S. J. Pearton, H. T. Wang, B. S. Kang, F. Ren, J. Jun, and J. Lin: Appl. Phys. Lett. 87 (2005) 222106.
7. L. Jing, B. Wang, B. Xin, S. Li, K. Shi, W. Cai, and H. Fu: J. Solid State Chem. 177 (2004) 4221.
8. J. A. Rodriguez, T. Jirsak, J. Dvorak, S. Sambasivan, and D. Fischer: J. Phys. Chem. B 104 (2000) 319.
9. R. Das and S. Ray: J. Phys. D 36 (2003) 152.
10. O. Kluth, B. Rech, L. Houben, S. Wieder, G. Schope, C. Beneking, H. Wagner, A. Loffl, and H. W. Schock: Thin Solid Films 351 (1999) 247.
11. H. Ohta, K. Kawamura, M. Orita, M. Hirano, N. Sarukura, and H. Hosono: Appl. Phys. Lett. 77 (2000) 475.
12. T. Aoki, Y. Hatanaka, and D. C. Look: Appl. Phys. Lett. 76 (2000) 3257.
13. M. H. Huang, S. Mao, H. Feick, H. Yan, Y. Wu, H. Kind, E. Weber, R. Russo, and P. Yang: Science 292 (2001) 1897.
14. Q. Wan, Q. H. Li, Y. J. Chen, T. H. Wang, X. L. He, J. P. Li, and C. L. Lin: Appl. Phys. Lett. 84 (2004) 3654.
15. Q. H. Li, Y. X. Liang, Q. Wan, and T. H. Wang: Appl. Phys. Lett. 85 (2004) 6389.
16. Z. Y. Fan, D. W. Wang, P. C. Chang, W. Y. Tseng, and J. G. Lu: Appl. Phys. Lett. 85 (2004) 5923.
17. Q. Wan, Q. H. Li, Y. J. Chen, T. H. Wang, X. L. He, X. G. Gao, and J. P. Li: Appl. Phys. Lett. 84 (2004) 3085.
18. Y. S. Zhang, K. Yu, D. S. Jiang, Z. Q. Zhu, H. R. Geng, and L. Q. Luo: Appl. Surf. Sci. 242 (2005) 212.
19. H. Kind, H. Q. Yan, B. Messer, M. Law, and P. D. Yang: Adv. Mater. 14 (2002) 158.
20. P. D. Yang, H. Q. Yan, S. Mao, R. Russo, J. Johnson, R. Saykally, and N. Morris: Adv. Funct. Mater. 12 (2002) 323.
21. J. Zhang, L. Sun, H. Pan, C. Liao, and C. Yan: New J. Chem. 26 (2002) 33.
22. G. Yi, C. Wang, and W. Park; Semicond. Sci. Tcchnol. 20 (2005) 22.
23. X. D. Wang, C. J. Summers, and Z. L. Wang: Nano Lett. 4 (2004) 423.
24. N. Pan, X. Wang, K. Zhang, H. Hu, B. Xu, F. Li, and J. G. Hou: Nanotechnology 16 (2005) 1069.
25. P. S. Cho, K. W. Kim, and J. H. Lee: J. Electroceram. 17 (2006) 975.
26. S. M. Al-Hilli, R. T. Mofarji, and M. Willander: Appl. Phys. Lett. 89 (2006) 173119.
27. W. P. Zheng, R. D. Zu, and L. Z. Wang: Science 291 (2001) 1947.
28. E. Comini, G. Faglia, G. Sberveglieri, Z. Pan, and Z. L. Wang: Appl. Phys. Lett. 81 (2002) 1869.
29. A. Wei and X. W. Sun: Appl. Phys. Lett. 88 (2006) 213102.
30. Y. J. Xing, Z. H. Xi, Z. Q. Xue, X. D. Zhang, and J. H. Song: Appl. Phys. Lett. 83 (2003) 1689.
31. R. M. Wang, Y. J. Xing, J. Xu, and D. P. Yu: New J. Phys. 5 (2003) 115.
32. Y. Sun, D. J. Riley, and M. N. R. Ashfold: J. Phys. Chem. B 110 (2006) 15186.
33. S. Yu, C. Wang, J. Yu, W. Shi, R. Deng, and H. Zhang: Nano-technology 17 (2006) 3607.
34. J. Zhang, Y. Yang, F. Jiang, B. Xu, and J. Li: J. Solid State Chem. 178 (2005) 2804.
35. C. X. Xu and X. W. Sun: Appl. Phys. Lett. 85 (2004) 3878.
36. J. X. Wang, X. W. Sun, and A. Wei: Appl. Phys. Lett. 88 (2006) 233106.
37. C. S. Lao, P. X. Gao, R. S. Yang, Y. Zhang, Y. Dai, and Z. L. Wang: Chem. Phys. Lett. 417 (2006) 358.
38. C. Xu and X. Sun: Int. J. Nanotechnol. 1 (2004) 452.
39. C. X. Xu and X. W. Sun: Appl. Phys. Lett. 83 (2003) 3806.
40. H. Gao, X. T. Zhang, M. Y. Zhou, Z. G. Zhang, and X. Z. Wang: Nanotechnology 18 (2007) 065601.
41. R. S. Yang, Y. Ding, and Z. L. Wang: Nano Lett. 4 (2004) 1309.
42. M. W. Zhao, Y. Y. Xia, D. J. Zhang, and L. M. Mei: Phys. Rev. B 68 (2003) 235415.
43. A. Rubio, J. L. Corkill, and M. L. Cohen: Phys. Rev. B 49 (1994) 5081.
44. S. M. Lee, Y. H. Lee, Y. G. Hwang, J. Eisner, D. Porezag, and T. Frauenheim: Phys. Rev. B 60 (1999) 7788.
45. M. W. Zhao, Y. Y. Xia, F. Li, R. Q. Zhang, and S. T. Lee: Phys. Rev. B 71 (2005) 085312.
46. Z. C. Tu and X. Hu: Phys. Rev. B 74 (2006) 035434.
47. Ş. Erkoç and H. Kökten: Physica E 28 (2005) 162.
48. G. Malloci, G. Cappellini, G. Mulas, and G. Satta: Phys. Rev. B 70 (2004) 205429.
49. S. Botti and M. A. Marques: Phys. Rev. B 75 (2007) 035311.
50. J. Zhao, R. H. Xie, X. Zhou, X. Chen, and W. Lu: Phys. Rev. B 74 (2006) 035319.
51. V. Milman, V. Winkler, J. A. White, C. J. Pickard, M. C. Payne, E. V. Akhmatskaya, and R. H. Nobes: Int. J. Quantum Chem. 77 (2000) 895.
52. N. Govind, M. Petersen, G. Fitzgerald, D. Smith, and J. Andzelm: Comput. Mater. Sci. 28 (2003) 250.
53. D. M. Ceperley and B. J. Alder: Phys. Rev. Lett. 45 (1980) 566.
54. J. P. Perdew and A. Zunger: Phys. Rev. B 23 (1981) 5048.
55. B. Delley: J. Chem. Phys. 92 (1990) 508.
56. T. Yokosuka, H. Kurokawa, S. Takami, M. Kubo, A. Miyamoto, and A. Imamura: Jpn. J. Appl. Phys. 41 (2002) 2410.
57. H. Tsuboi, H. Setogawa, M. Koyama, A. Endou, M. Kubo, C. A. Del Carpio, E. Broclawick, and A. Miyamoto: Jpn. J. Appl. Phys. 45 (2006) 313.
58. E. H. Kisi and M. M. Elcombe: Acta Crystallogr., Sect. C 45 (1989) 1867.
59. CRC Handbook of Chemistry and Physics (CRC, Boca Raton, FL, 1977) 58th ed.
60. D. P. Norton, Y. W. Heo, M. P. Ivill, K. Ip, S. J. Pearton, M. F. Chisholm, and T. Steiner: Mater. Today 7 (2004) 34.
61. M. Usuda, N. Hamada, T. Kotani, and M. van Schilfgaarde: Phys. Rev. B 66 (2002) 125101.
62. Y. Imai, A. Watanabe, and I. Shimono: J. Mater. Sci.: Mater. Electron. 14 (2003) 149.
63. J. Paier, R. Hirschl, M. Marsman, and G. Kresse: J. Chem. Phys. 122 (2005) 234102.
64. S. M. Lee, Y. H. Lee, and Y. G. Hwang: Phys. Rev. B 60 (1999) 7788.
65. M. Zhao, Y. Xia, D. Zhang, and L. Mei: Phys. Rev. B 68 (2003) 235415.
66. P. Schröer, P. Krüger, and J. Pollmann: Phys. Rev. B 49 (1994) 17092.
67. S. Hou, Z. Shen, J. Zhang, X. Zhao, and Z. Xue: Chem. Phys. Lett. 393 (2004) 179.
68. L. Shen and J. Li: Phys. Rev. B 71 (2005) 165427.
69. Y. Wang, S. Zhang, X. Wu, and Q. Liu: Maler. Chem. Phys. 98 (2006) 121.
70. S. V. Lisenkov, G. A. Vinogradov, and N. G. Lebedev: JETP Lett. 81 (2005) 185.
71. J. Carrasco, N. Lopez, and F. Illas: J. Chem. Phys. 122 (2005) 224705.
72. S. B. Zhang, S. H. Wei, and A. Zunger: Phys. Rev. B 63 (2001) 075205.
73. P. Erhart and K. Albe: Phys. Rev. B 73 (2006) 115207.
74. A. F. Kohan, G. Ceder, D. Morgan, and C. G. Walle: Phys. Rev. B 61 (2000) 15019.
75. R. J. Baierle, P. Piquine, L. P. Neves, and R. H. Miwa: Phys. Rev. B 74 (2006) 155425.
76. P. H. Miller: J. Phys. Rev. 60 (1941) 890.
77. S. A. Studenikin, N. Golego, and M. Cocivera: J. Appl. Phys. 83 (1998) 2104.
78. Y. Natsume, H. Sakata, T. Hirayama, and H. Yanagida: J. Mater. Sci. Lett. 14 (1991) 810.
79. M. K. Jayaraj, A. Antony, and M. Ramachandran: Bull. Mater. Sci. 25 (2002) 227.
80. J. Lee, J. H. Hwang, J. J. Mashek, T. O. Mason, A. E. Miller, and R. W. Siegel: J. Mater. Res. 10 (1995) 2295.
81. F. Yuan, P. Hu, C. Yin. S. Huang, and J. Li: J. Mater. Chem. 13 (2003) 634.
82. H. Wu, F. Zhang, X. Xu, C. Zhang, and H. Jiao: J. Phys. Chem. A 107 (2003) 204.
83. E. Zurek, T. Woo, T. Firman, and T. Ziegler: Inorg. Chem. 40 (2001) 361.