First-principles study of hydrogenated CdS nanowires

Physica Status Solidi (B) Basic Research

Volumn 250, Issue 7, 2013, Pages 1278-1282

  Li, Ping ^a,b   Zhang, Chang Wen ^b   Zheng, Fu Bao ^b   Lian, Jie ^a   Ren, Miao Juan ^b   Li, Feng ^b   Yuan, Min ^b  

^a SHANDONG UNIVERSITY   (China)

^b UNIVERSITY OF JINAN   (China)

Author keywords

CdS; Density functional theory; Electronic structure calculations; Ferromagnetism; Half metals; Nanowires

Indexed keywords

CADMIUM SULFIDE; CALCULATIONS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FERROMAGNETISM; HYDROGENATION; II-VI SEMICONDUCTORS; MAGNETIC PROPERTIES; NANOWIRES;

CDS NANOWIRES; ELECTRONIC AND MAGNETIC PROPERTIES; ELECTRONIC STRUCTURE CALCULATIONS; FIRST-PRINCIPLES SIMULATIONS; FIRST-PRINCIPLES STUDY; HALF METALS; HALF-METALLIC PROPERTIES; SURFACE ELECTRON;

DENSITY FUNCTIONAL THEORY;

EID: 84880025057     PISSN: 03701972     EISSN: 15213951     Source Type: Journal    
DOI: 10.1002/pssb.201248483     Document Type: Article

References (34)

1. C. J. Barrelet, Y. Wu, D. C. Bell, and C. M. Lieber, J. Am. Chem. Soc. 125, 11498 (2003).
2. R. Agarwal, C. J. Barrelet, and C. M. Lieber, Nano Lett. 5, 917 (2005).
3. C. W. Zhang, P. J. Wang, P. Li, and F. B. Zheng, J. Appl. Phys. 109, 094304 (2011).
4. A. Priyam, A. Chatterjee, S. C. Bhattacharya, and A. Saha, J. Cryst. Growth 340, 416 (2007).
5. K. Barnham, J. L. Marques, J. Hassard, and P. O'Brien, Appl. Phys. Lett. 76, 1197 (2000).
6. H. Cao, G. Wang, S. Zhang, X. Zhang, and D. Rabinovich, Inorg. Chem. 45, 5103 (2006).
7. J. Yang, J. H. Zeng, S. H. Yu, L. Yang, G. E. Zhou, and Y. T. Qian, Chem. Mater. 12, 3259 (2000).
8. Y. W. Jun, S. M. Lee, N. J. Kang, and J. Cheon, J. Am. Chem. Soc. 123, 5150 (2001).
9. D. S. Xu, Y. J. Xu, D. P. Chen, G. L. Guo, L. L. Gui, and Y. Q. Tang, Adv. Mater. 12, 520 (2000).
10. Y. J. Xiong, Y. Xie, J. Yang, R. Zhang, C. Z. Wu, and G. J. Du, Mater. Chem. 12, 3712 (2002).
11. L. F. Dong, J. Jiao, M. Coulter, and L. Love, Chem. Phys. Lett. 376, 653 (2003).
12. A. Pan, D. Liu, R. Liu, F. Wang, X. Zhu, and B. Zou, Small 1, 980 (2005).
13. Q. H. Li, T. Gao, and T. H. Wang, Appl. Phys. Lett. 86, 193109 (2005).
14. A. B. Greytak, C. J. Barrelet, Y. Li, and C. M. Lieber, Appl. Phys. Lett. 87, 151103 (2005).
15. X. Duan, C. Niu, V. Sahi, J. Chen, J. W. Parce, S. Empedocles, and J. L. Goldman, Nature 425, 274 (2003).
16. R. M. Ma, L. Dai, H. B. Huo, W. Q. Yang, G. G. Qin, P. H. Tan, and C. H. Huang, Appl. Phys. Lett. 89, 203120 (2006).
17. Y. Huang, X. Duan, and C. M. Lieber, Small 1, 142 (2005).
18. S. Hayden, A. B. Greytak, and D. C. Bell, Adv. Mater. 17, 701 (2005).
19. X. Duan, Y. Huang, R. Agarwal, and C. M. Lieber, Nature 421, 241 (2003).
20. Y. K. Liu, J. A. Zapien, C. Y. Geng, Y. Y. Shan, C. S. Lee, Y. Lifshitz, and S. T. Lee, Appl. Phys. Lett. 85, 3241 (2004).
21. X. Michalet, F. Pinaud, T. D. Lacoste, M. Dahan, M. P. Bruchez, A. P. Alivisatos, and S. Weiss, Single Mol. 2, 261 (2001).
22. N. Gaponik, I. L. Radtchenko, G. B. Sukhorukov, and A. L. Rogach, Single Mol. 20, 1449 (2004).
23. W. Göpel, Prog. Surf. Sci. 20, 9 (1985).
24. Y. Wang, B. Meyer, X. Yin, M. Kunat, D. Langenberg, F. Traeger, A. Birkner, and Ch. Wöll, Phys. Rev. Lett. 95, 266104 (2005).
25. J. Hafner, J. Comput. Chem. 29, 2044 (2008).
26. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).
27. J. P. Perdew, K. Burke, and Y. Wang, Phys. Rev. B 54, 16533 (1996).
28. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991).
29. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
30. Z. Q. Wang, J. F. Gong, J. H. Duan, H. B. Huang, S. G. Yang, X. N. Zhao, R. Zhang, and Y. W. Du, Appl. Phys. Lett. 89, 033102 (2006).
31. H. Pan, Y. P. Feng, Q. Y. Wu, Z. G. Huang, and J. Lin, Phys. Rev. B 77, 125211 (2008).
32. L. B. Knight Jr., and W. Weltner, Jr., J. Chem. Phys. 55, 2061 (1971).
33. R. Rurali and X. Cartoixa, Nano Lett. 9, 975 (2009).
34. S. B. Zhang and J. E. Northrup, Phys. Rev. Lett. 67, 2339 (1991).