First-principles absorption spectra of Cun (n=2-20) clusters

Physical Review B - Condensed Matter and Materials Physics

Volumn 83, Issue 24, 2011, Pages

  Baishya, Kopinjol ^a   Idrobo, Juan C ^a,b   Öǧüt, Serdar ^a   Yang, Mingli ^c   Jackson, Koblar A ^d   Jellinek, Julius ^e  

^a UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

^b VANDERBILT UNIVERSITY   (United States)

^c SICHUAN UNIVERSITY   (China)

^d CENTRAL MICHIGAN UNIVERSITY   (United States)

^e ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79961236432     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.83.245402     Document Type: Article

References (70)

1. M. Moskovits and J. E. Hulse, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.435365 67, 4271 (1977).
2. G. A. Ozin and S. A. Mitchell, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100393a012 86, 473 (1982).
3. G. A. Ozin, S. A. Mitchell, D. F. McIntosh, and S. M. Mattar, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100246a024 87, 4651 (1983).
4. D. E. Powers, S. G. Hansen, M. E. Geusic, D. L. Michalopoulos, and R. E. Smalley, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.445273 78, 2866 (1983).
5. M. D. Morse, J. B. Hopkins, P. R. R. Langridge-Smith, and R. E. Smalley, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.445694 79, 5316 (1983).
6. D. M. Kolb, H. H. Rotermund, W. Schrittenlacher, and W. Schroeder, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.446766 80, 695 (1984).
7. M. D. Morse, Chem. Rev. CHREAY 0009-2665 10.1021/cr00076a005 86, 1049 (1986).
8. R. J. VanZee and W. Weltner, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.458237 92, 6976 (1990).
9. R. S. Ram, C. N. Jarman, and P. F. Bernath, J. Mol. Spectrosc. JMOSA3 0022-2852 10.1016/0022-2852(92)90247-L 156, 468 (1992).
10. M. B. Knickelbein, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.466263 100, 4729 (1994).
11. C. L. Pettiette, S. H. Yang, M. J. Craycraft, and J. Conceicao, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.454575 88, 5377 (1988).
12. J. Ho, K. M. Ervin, and W. C. Lineberger, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.459475 93, 6987 (1990).
13. C.-Y. Ha, G. Ganteför, and W. J. Eberhardt, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.465868 99, 6308 (1993).
14. H. Handschuh, P. S. Bechthold, G. Ganteför, and W. J. Eberhardt, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.467267 100, 7093 (1994).
15. B. J. Winter, E. K. Parks, and S. J. Riley, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.460046 94, 8616 (1991).
16. M. B. Knickelbein, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(92)85440-L 192, 129 (1992).
17. M. B. Knickelbein, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1712791 120, 10450 (2004).
18. J. Demuynck, M.-M. Rohmer, A. Strich, and A. Veillard, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.442453 75, 3443 (1981).
19. H. Tatewaki, E. Miyoshi, and T. Nakamura, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.442856 76, 5073 (1982).
20. G. del Conde, P. S. Bagus, and O. Novaro, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.26.3653 26, 3653 (1982).
21. E. Miyoshi, H. Tatewaki, and T. Nakamura, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.444781 78, 815 (1983).
22. H. Åkeby and L. Pettersson, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(91)87020-V 155, 197 (1991).
23. D.-W. Liao and K. Balasubramanian, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.463093 97, 2548 (1992).
24. K. A. Jackson, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.47.9715 47, 9715 (1993).
25. C. Massobrio, A. Pasquarello, and R. Car, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.75.2104 75, 2104 (1995);
26. C. Massobrio, A. Pasquarello, and R. Car, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.8913 54, 8913 (1996).
27. P. Calaminici, A. M. Köster, N. Russo, and D. R. Salahub, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.472939 105, 9546 (1996).
28. V. Musolino, A. Selloni, and R. Car, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.475911 108, 5044 (1998).
29. C. Massobrio, A. Pasquarello, and A. Dal Corso, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.477313 109, 6626 (1998). (Pubitemid 128678290)
30. M. Valiev, E. J. Bylaska, and J. H. Weare, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1602694 119, 5955 (2003).
31. M. N. Huda and A. K. Ray, Eur. Phys. J. D 22, 217 (2003).
32. J. Wang, G. Wang, and J. Zhao, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2003.09.062 380, 716 (2003).
33. E. M. Fernandez, J. M. Soler, I. L. Garz'on, and L. C. Balbás, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.70.165403 70, 165403 (2004). (Pubitemid 40100495)
34. W. Hong-Yan, L. Chao-Yang, T. Yong-Jian, and Z. Zheng-He, Chin. Phys. CHPLBC 1009-1963 10.1088/1009-1963/13/5/018 13, 677 (2004). (Pubitemid 41089937)
35. H. Grönbeck and P. Broqvist, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.71.073408 71, 073408 (2005). (Pubitemid 40410804)
36. M. Yang and K. A. Jackson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1891705 122, 184317 (2005). (Pubitemid 40682817)
37. M. Yang, K. A. Jackson, C. Koehler, Th. Frauenheim, and J. Jellinek, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2150439 124, 024308 (2006). (Pubitemid 43100192)
38. P. Calaminici, A. M. Köster, and Z. Gómez-Sandoval, J. Chem. Theory Comput. JCPSA6 1549-9618 10.1021/ct600358a 3, 905 (2007);
39. P. Calaminici, F. Janetzko, A. M. Köster, R. Meija-Olvera, and B. Zuniga-Gutierrez, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2431643 126, 044108 (2007). (Pubitemid 46372682)
40. M. Yang, F. Yang, K. A. Jackson, and J. Jellinek, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3300128 132, 064306 (2010).
41. G. Guzmán-Ramirez, F. Aguilera-Granja, J. Robles, Eur. Phys. J. D EPJDF6 1434-6060 10.1140/epjd/e2010-00001-4 57, 49 (2010);
42. G. Guzmán-Ramirez, F. Aguilera-Granja, J. Robles, Eur. Phys. J. D 1434-6060 10.1140/epjd/e2010-00059-x 57, 335 (2010).
43. A. B. Anderson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.435944 64, 1744 (1978).
44. M. Witko and H.- O. Beckmann, Mol. Phys. MOPHAM 0026-8976 10.1080/00268978200100712 47, 945 (1982).
45. X. Wang, X. Wan, H. Zhou, S. Takami, M. Kubo, and A. Miyamoto, J. Mol. Struct., Theochem THEODJ 0166-1280 10.1016/S0166-1280(01)00729-1 579, 221 (2002).
46. A. Del Vitto, C. Sousa, F. Illas, and G. Pacchioni, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1796311 121, 7457 (2004).
47. S. I. Bosko, L. V. Moskaleva, A. V. Matveev, and N. Rösch, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp070303g 111, 6870 (2007). (Pubitemid 47209985)
48. M. Huix-Rotllant, A. Deka, A. V. Matveev, S. I. Bosko, L. V. Moskaleva, and N. Rösch, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.21853 108, 2978 (2008).
49. Y. Zhou and Z. Zeng, J. Nanosci. Nanotechnol. IJQCB2 1533-4880 10.1166/jnn.2010.1958 10, 5404 (2010).
50. S. Lecoultre, A. Rydlo, C. Félix, J. Buttet, S. Gilb, and W. Harbich, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3552077 134, 074303 (2011).
51. J. C. Idrobo, S. Öǧüt, and J. Jellinek, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.72.085445 72, 085445 (2005); (Pubitemid 43406143)
52. J. C. Idrobo, S. Öǧüt, and J. Jellinek, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.239901 77, 239901 (2008).
53. S. Öǧüt, J. C. Idrobo, J. Jellinek, and J. L. Wang, J. Cluster Sci. JCSCEB 1040-7278 10.1007/s10876-006-0075-8 17, 609 (2006). (Pubitemid 44893113)
54. J. C. Idrobo, S. Öǧüt, K. Nemeth, J. Jellinek, and R. Ferrando, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.233411 75, 233411 (2007).
55. J. C. Idrobo, W. Walkosz, S. F. Yip, S. Öǧüt, J. Wang, and J. Jellinek, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.205422 76, 205422 (2007);
56. J. C. Idrobo, W. Walkosz, S. F. Yip, S. Öǧüt, J. Wang, and J. Jellinek, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.249903 77, 249903 (2008).
57. K. Baishya, J. C. Idrobo, S. Öǧüt, M. L. Yang, K. Jackson, and J. Jellinek, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78. 075439 78, 075439 (2008).
58. M. L. Tiago, J. C. Idrobo, S. Öǧüt, J. Jellinek, and J. R. Chelikowsky, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.155419 79, 155419 (2009).
59. G. Mie, Ann. Phys. (Leipzig) ANPYA2 0003-3804 10.1002/andp.19083300302 330, 377 (1908).
60. R. Gans, Ann. Phys. (Leipzig) ANPYA2 0003-3804 10.1002/andp.19123420503 342, 881 (1912).
61. J. C. Idrobo and S. T. Pantelides, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.085420 82, 085420 (2010).
62. Information about parsec can be found at [http://parsec.ices.utexas.edu/] .
63. Y. Zhou, Y. Saad, M. L. Tiago, and J. R. Chelikowsky, Phys. Rev. E ANPYA2 1539-3755 10.1103/PhysRevE.74.066704 74, 066704 (2006). (Pubitemid 46130638)
64. A. G. Shenstone, Philos. Trans. R. Soc. London A PTRMAD 1364-503X 10.1098/rsta.1948.0021 241, 297 (1948);
65. see also [http://physics.nist.gov/PhysRefData/Handbook/Tables/ coppertable3.html].
66. n clusters in the intermediate size range (10 ≤ n ≤ 20) (Ref. ), we expect the differences between the absorption spectra of ground state and the first few low-energy isomers to be less significant.
67. J. C. Idrobo, M. Yang, K. A. Jackson, and S. Öǧüt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.153410 74, 153410 (2006). (Pubitemid 44583930)
68. A. Heilman, M. Quinten, and J. Werner, Eur. Phys. J. B EPJBFY 1434-6028 10.1007/s100510050335 3, 455 (1998).
69. H. Ehrenreich and H. R. Philipp, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.128.1622 128, 1622 (1962).
70. N. W. Ashcroft and N. D. Mermin, Solid State Physics (Holt, Rinehart, and Winston, New York, 1976).