Correlations between bonding, size, and second hyperpolarizability (γ) of small semiconductor clusters: Ab initio study on Aln Pn clusters with n=2, 3, 4, 6, and 9

Journal of Chemical Physics

Volumn 128, Issue 15, 2008, Pages

  Karamanis, Panaghiotis ^a   Leszczynski, Jerzy ^a  

^a JACKSON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARACTERIZATION; CORRELATION METHODS; DENSITY FUNCTIONAL THEORY; POLARIZATION; SEMICONDUCTING GALLIUM ARSENIDE; STOICHIOMETRY;

BONDING CHARACTERISTICS; HYPERPOLARIZABILITY; PHOSPHIDES;

SEMICONDUCTOR MATERIALS;

EID: 42449150921     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2902287     Document Type: Article

References (67)

1. W. A. de Heer, Rev. Mod. Phys. 65, 611 (1993).
2. A. P. Alivisatos, J. Phys. Chem. 100, 12336 (1996).
3. R. Rossetti, S. Nakahara, and L. E. Brus, J. Chem. Phys. 79, 1086 (1983).
4. Y. Fainman, J. Ma, and S. H. Lee, Mater. Sci. Rep. 9, 53 (1993).
5. J. A. Becker, Angew. Chem., Int. Ed. Engl. 36, 1390 (1997).
6. S. Schlecht, R. Schäfer, J. Woenckhaus, and J. A. Becker, Chem. Phys. Lett. 247, 315 (1995).
7. R. Schäfer and J. A. Becker, Phys. Rev. B 54, 10296 (1996).
8. I. Vasiliev, S. Öǧüt, and J. R. Chelikowsky, Phys. Rev. Lett. 78, 4805 (1997).
9. M. Schnell, C. Herwig, and J. A. Becker, Z. Phys. Chem. 217, 1003 (2003).
10. P. Karamanis, G. Maroulis, and C. Pouchan, J. Chem. Phys. 124, 071101 (2006).
11. C. Pouchan, D. B́gú, and D. Y. Zhang, J. Chem. Phys. 121, 4628 (2004).
12. M. Sugawara, H. Ebe, N. Hatori, M. Ishida, Y. Arakawa, T. Akiyama, K. Otsubo, and Y. Nakata, Phys. Rev. B 69, 235332 (2004).
13. J. M. Caruge, Y. Chan, V. Sundar, H. J. Eisher, and M. G. Bawendi, Phys. Rev. B 70, 085316 (2004).
14. T. W. Berg and J. Mork, Appl. Phys. Lett. 82, 3083 (2003).
15. S. M. Ma, J. T. Seo, Q. Yang, R. Battle, L. Creekmore, K. Lee, B. Tabibi, and W. Yu, Appl. Surf. Sci. 253, 6612 (2007).
16. S. N. Kanna and P. Jena, Phys. Rev. Lett. 69, 1664 (1992).
17. B. K. Rao, S. N. Khanna, and P. Jena, Phys. Rev. B 51, 13705 (1995).
18. D. E. Bergeron, A. W. Castleman, Jr., T. Morisato, and S. N. Khanna, Science 304, 84 (2004).
19. P. P. Korambath and S. P. Karna, J. Phys. Chem. A 104, 4801 (2000).
20. Y. Z. Lan, W. D. Cheng, D. S. Wu, J. Shen, S. P. Huang, H. Zhang, Y. J. Gong, and F.-F. Li, Chem. Phys. 124, 094302 (2006).
21. G. Maroulis, P. Karamanis, and C. Pouchan, J. Chem. Phys. 126, 154316 (2007).
22. P. Karamanis, D. B́gú, and C. Pouchan, J. Chem. Phys. 127, 094706 (2007).
23. S. C. O'Brien, Y. Liu, Q. Zhang, J. R. Heath, F. K. Tittel, R. F. Curl, and R. E. Smalley, J. Chem. Phys. 84, 4074 (1986).
24. M. G. Papadopoulos, H. Reis, A. Avramopoulos, S. Erko̧, and L. Amirouche, J. Phys. Chem. B 209, 18822 (2005).
25. M. G. Papadopoulos, H. Reis, A. Avramopoulos, S. Erko̧, and L. Amirouche, Mol. Phys. 104, 2027 (2006).
26. S. Sen and S. Chakrabarti, Phys. Rev. B 74, 205435 (2006).
27. G. Maroulis and C. Pouchan, J. Phys. Chem. B 107, 10683 (2003).
28. A. C. Pineda and S. P. Karna, Chem. Phys. Lett. 429, 169 (2006).
29. A. Costales, A. Kandalam, R. Franco, and R. Pandey, J. Phys. Chem. B 106, 1940 (2002).
30. F. Buda, V. Tozzini, and A. Fasolino, J. Phys. Chem. 105, 12477 (2001).
31. M. A. Al-Laham, G. W. Trucks, and K. Raghavachari, J. Chem. Phys. 96, 1137 (1992).
32. M. A. Al-Laham and K. Raghavachari, J. Chem. Phys. 98, 8770 (1993).
33. A. Tomasulo and M. V. Ramakrishna, J. Chem. Phys. 105, 10449 (1996).
34. J. Zhao, L. Wang, J. Jiaa, X. Chenc, X. Zhouc, and W. Luc, Chem. Phys. Lett. 443, 29 (2007).
35. L. Guo, H. Wu, and Z. Jin, J. Mol. Struct.: THEOCHEM 684, 67 (2004).
36. P. Karamanis (unpublished).
37. H. D. Cohen and C. C. J. Roothaan, J. Chem. Phys. 43S, 34 (1965).
38. A. D. McLean and M. Yoshimine, J. Chem. Phys. 47, 1927 (1967).
39. T. Helgaker, P. Jørgensen, and J. Olsen, Molecular Electronic-Structure Theory (Wiley, Chichester, 2000).
40. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
41. M. J. Frish, G. W. Trucks, H. B. Schalegel, computer code GAUSSIAN 03, revision B.03, Gaussian, Inc., Wallingford, CT, 2004.
42. G. Maroulis, J. Chem. Phys. 108, 5432 (1998).
43. G. Maroulis, J. Chem. Phys. 118, 2673 (2003).
44. G. Maroulis, J. Chem. Phys. 111, 6846 (1999).
45. D. Xenides and G. Maroulis, J. Phys. B 39, 3629 (2006).
46. G. Maroulis and D. Xenides, J. Phys. Chem. A 103, 4590 (1999).
47. G. Maroulis, D. B́gú, and C. Pouchan, J. Chem. Phys. 119, 794 (2003).
48. D. Xenides, J. Mol. Struct.: THEOCHEM 764, 41 (2006).
49. D. Xenides, J. Mol. Struct.: THEOCHEM 804, 41 (2007).
50. A. D. Buckingham, Adv. Chem. Phys. 12, 107 (1967).
51. P. Karamanis and G. Maroulis, Chem. Phys. Lett. 376, 403 (2003).
52. G. Maroulis and P. Karamanis, Chem. Phys. 269, 137 (2001).
53. P. Karamanis and G. Maroulis, Mol. Phys. 102, 13 (2004).
54. P. Karamanis and G. Maroulis, J. Mol. Struct.: THEOCHEM 621, 157 (2003).
55. G. Maroulis, Chem. Phys. Lett. 444, 44 (2007).
56. E. F. Archibong, A. St. Amant, S. K. Goh, and D. Marynick, J. Phys. Chem. A 106, 5932 (2002).
57. P. Karamanis, D. Y. Zhang-Negrerie, and C. Pouchan, Chem. Phys. 331, 417 (2007).
58. A. D. Zdetsis, J. Chem. Phys. 127, 014314 (2007).
59. G. Maroulis and D. Xenides, J. Phys. Chem. A 107, 712 (2003).
60. K. A. Jackson, M. Yang, I. Chaudhuri, and Th. Frauenheim, Phys. Rev. A 71, 033205 (2005).
61. S. Sen, P. Seal, and S. Chakrabati, Phys. Rev. B 76, 115414 (2007).
62. K. B. Sophy, P. Calaminici, and S. Pal, J. Chem. Theory Comput. 3, 716 (2006).
63. B. Kirtman and B. Champagne, Int. Rev. Phys. Chem. 16, 389 (1997).
64. D. Jacquemin, B. Champagne, and J. M. Andŕ, Chem. Phys. Lett. 284, 24 (1998).
65. D. Jacquemin, E. A. Perp̀te, M. Medved', G. Scalmani, M. Frisch, R. Kobayashi, and C. Adamo, J. Chem. Phys. 126, 191108 (2007).
66. H. Gómez, T. R. Taylor, and N. D. Neumark, J. Phys. Chem. A 105, 6886 (2001).
67. J.-Z. Liu, C.-R. Wang, R.-Bin. Huang, and L.-S. Zheng, Int. J. Mass Spectrom. Ion Process. 141, 201 (1995).