Theoretical models of ZnS nanoclusters and nanotubes: First-principles calculations

Solid State Communications

Volumn 147, Issue 5-6, 2008, Pages 165-168

  Zhang, Xuejuan ^a   Zhao, Mingwen ^a   He, Tao ^a   Li, Weifeng ^a   Lin, Xiaohang ^a   Wang, Zhenhai ^a   Xi, Zexiao ^a   Liu, Xiangdong ^a   Xia, Yueyuan ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

A. Nanostructures; C. Geometric structure; D. Electronic band structure; D. Energetic properties

Indexed keywords

CUBIC BORON NITRIDE; ELECTRONIC PROPERTIES; FULLERENES; NANOCLUSTERS; NANOSTRUCTURES; ZINC;

(PL) PROPERTIES; FIRST-PRINCIPLES CALCULATIONS;

ZINC SULFIDE;

EID: 46049112864     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2008.05.032     Document Type: Article

References (31)

1. Sebastian P.J., and Ocampo M. Sol. Energy Mater. Sol. Cells 44 (1996) 1
2. Bredol M., and Merikhi J. J. Mater. Sci. 33 (1998) 471
3. Durose K., Edwards P.R., and Halliday D.P. J. Cryst. Growth 197 (1999) 733
4. Hoffman A.J., Mills G., Yee H., and Hoffmann M.R. J. Phys. Chem. 96 (1992) 5546
5. Sarkar P., and Springborg M. Phys. Rev. B 68 (2003) 235409 and references there in
6. Ding J.X., Zapien J.A., Chen W.W., Lifshitz Y., and Lee S.T. Appl. Phys. Lett. 85 (2004) 12
7. Ma C., Li D.M., and Wang Z.L. Adv. Mater. 15 (2003) 228
8. Burnin A., and Belbruno J.J. Chem. Phys. Lett. 362 (2002) 341
9. Yin L.W., Bando Y., Zhan J.H., Li M.S., and Bolberg D. Adv. Mater. 17 (2005) 1972
10. Xiong Q.H., Chen G., Acord J.D., Liu X., Zengel J.J., Gutierrez H.R., Redwing J.M., Lew Yan Voon L.C., Lassen B., and Eklund P.C. Nano Lett. 4 (2004) 1663
11. Li Q., and Wang C.R. Appl. Phys. Lett. 83 (2003) 359
12. Yu S.H., and Yoshimura M. Adv. Mater. 14 (2002) 296
13. Matxain J.M., Fowler J.E., and Ugalde J.M. Phys. Rev. A 61 (2000) 053201
14. Spanó E., Hamad S., and Catlow C.R.A. J. Phys. Chem. B 107 (2003) 10337
15. Spanó E., Hamad S., and Catlow C.R.A. Chem. Commun. (2004) 864
16. Hamad S., Catlow C.R.A., Spanó E., Matxain J.M., and Ugalde J.M. J. Phys. Chem. B 109 (2005) 2703
17. Pal S., Goswami B., and Sarkar P.J. Chem. Phys. 123 (2005) 044311
18. Matxain J.M., Mercero J.M., Fowler J.E., and Ugalde J.M. J. Phys. Chem. A 107 (2003) 9918
19. Matxain J.M., Mercero J.M., Fowler J.E., and Ugalde J.M. J. Phys. Chem. A 108 (2004) 10502
20. Oku T., Nishiwaki A., Narita I., and Gonda M. Chem. Phys. Lett. 380 (2003) 620
21. Pal S., Goswami B., and Sarkar P. J. Phys. Chem. 111 (2007) 1556
22. Ordejón P., Artacho E., and Soler J.M. Phys. Rev. B 53 (1996) R10441
23. Sánchez-Portal D., Ordejón P., Artacho E., and Soler J.M. Int. J. Quantum Chem. 65 (1997) 453
24. Soler J.M., Artacho E., Gale J.D., García A., Junquera J., Ordejón P., and Sánchez-Portal D. J. Phys.: Condens. Matter. 14 (2002) 2745
25. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
26. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 78 (1997) 1396
27. Kleinman L., and Bylander D.M. Phys. Rev. Lett. 48 (1982) 1425
28. Bylander D.M., and Kleinman L. Phys. Rev. B 41 (1990) 907
29. Troullier N., and Martins J.L. Phys. Rev. B 43 (1991) 1993
30. Monkhorst H.J., and Pack J.D. Phys. Rev. B 13 (1976) 5188
31. Godby R.W., Schluter M., and Sham L.J. J. Phys. Rev. Lett. 37 (1988) 10159