Predictions of novel nanostructures of silicon by metal encapsulation

Computational Materials Science

Volumn 30, Issue 3-4 SPEC. ISS., 2004, Pages 260-268

  Kumar, Vijay ^a,b  

^a TOHOKU UNIVERSITY   (Japan)

^b Dr Vijay Kumar Foundation   (India)

Author keywords

Ab initio calculations; Hydrogenated clusters; Metal encapsulated clusters; Nanotubes; Optical absorption; Silicon; Vibrational spectra

Indexed keywords

FULLERENES; HYDROGENATION; IONIZATION; LUMINESCENCE; MOLECULAR VIBRATIONS; NANOTUBES; OPTOELECTRONIC DEVICES; SILANES;

AB INITIO CALCULATIONS; HYDROGENATED CLUSTERS; METAL ENCAPSULATED CLUSTERS; VIBRATIONAL SPECTRA;

SILICON;

EID: 3142675074     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2004.03.012     Document Type: Conference Paper

References (47)

1. Kumar V., Esfarjani K., Kawazoe Y. Kawazoe Y., Kondow T., Ohno K. Clusters and Nanomaterials. Springer Series in Cluster Physics. 2002;9 Springer Verlag, Heidelberg.
2. Jarrold M.F., Bower J.E. J. Phys. Chem. 92:1988;5702 Cheshnovsky O., et al. Chem. Phys. Lett. 138:1987;119 Liu Y., et al. J. Chem. Phys. 85:1986;7434 Hunter J.M., Fye J.L., Jarrold M.F., Bower J.E. Phys. Rev. Lett. 73:1994;2063.
3. Jarrold M.F., Bower J.E. J. Phys. Chem. 92:1988;5702 Cheshnovsky O., et al. Chem. Phys. Lett. 138:1987;119 Liu Y., et al. J. Chem. Phys. 85:1986;7434 Hunter J.M., Fye J.L., Jarrold M.F., Bower J.E. Phys. Rev. Lett. 73:1994;2063.
4. Jarrold M.F., Bower J.E. J. Phys. Chem. 92:1988;5702 Cheshnovsky O., et al. Chem. Phys. Lett. 138:1987;119 Liu Y., et al. J. Chem. Phys. 85:1986;7434 Hunter J.M., Fye J.L., Jarrold M.F., Bower J.E. Phys. Rev. Lett. 73:1994;2063.
5. Jarrold M.F., Bower J.E. J. Phys. Chem. 92:1988;5702 Cheshnovsky O., et al. Chem. Phys. Lett. 138:1987;119 Liu Y., et al. J. Chem. Phys. 85:1986;7434 Hunter J.M., Fye J.L., Jarrold M.F., Bower J.E. Phys. Rev. Lett. 73:1994;2063.
6. Canham L.T. Appl. Phys. Lett. 57:1990;1046.
7. Kumar V., Kawazoe Y. Phys. Rev. Lett. 87:2001;045503. ibid 91 (2003) 199901 (E).
8. Kumar V., Kawazoe Y. Phys. Rev. Lett. 87:2001;045503. ibid 91 (2003) 199901 (E).
9. Kumar V., Kawazoe Y. Phys. Rev. B. 65:2002;073404 Kumar V., Kawazoe Y. Sen K.D. Reviews in Modern Quantum Chemistry: a celebration of the contributions of Robert Parr. 2002;World Scientific, Singapore, Kumar V. Eur. Phys. J. D24:2003;81 Kumar V. Bull. Mater. Sci. 26:2003;109.
10. Kumar V., Kawazoe Y. Phys. Rev. B. 65:2002;073404 Kumar V., Kawazoe Y. Sen K.D. Reviews in Modern Quantum Chemistry: a celebration of the contributions of Robert Parr. 2002;World Scientific, Singapore, Kumar V. Eur. Phys. J. D24:2003;81 Kumar V. Bull. Mater. Sci. 26:2003;109.
11. Kumar V., Kawazoe Y. Phys. Rev. B. 65:2002;073404 Kumar V., Kawazoe Y. Sen K.D. Reviews in Modern Quantum Chemistry: a celebration of the contributions of Robert Parr. 2002;World Scientific, Singapore, Kumar V. Eur. Phys. J. D24:2003;81 Kumar V. Bull. Mater. Sci. 26:2003;109.
12. Kumar V., Kawazoe Y. Phys. Rev. B. 65:2002;073404 Kumar V., Kawazoe Y. Sen K.D. Reviews in Modern Quantum Chemistry: a celebration of the contributions of Robert Parr. 2002;World Scientific, Singapore, Kumar V. Eur. Phys. J. D24:2003;81 Kumar V. Bull. Mater. Sci. 26:2003;109.
13. Kumar V., Kawazoe Y. Phys. Rev. Lett. 88:2002;235504.
14. Kumar V., Kawazoe Y. Appl. Phys. Lett. 80:2002;859 Kumar V., Kawazoe Y. Appl. Phys. Lett. 83:2003;2677.
15. Kumar V., Kawazoe Y. Appl. Phys. Lett. 80:2002;859 Kumar V., Kawazoe Y. Appl. Phys. Lett. 83:2003;2677.
16. Singh A.K., Kumar V., Briere T.M., Kawazoe Y. Nano Lett. 2:2002;1243.
17. Singh A.K., Briere T.M., Kumar V., Kawazoe Y. Phys. Rev. Lett. 91:2003;146802.
18. Singh A.K., Kumar V., Kawazoe Y. J. Mater. Chem. 14:2004;555.
19. Ho K.M., Shvartsburg A.A., Pan B., Lu Z.-Y., Wang C.-Z., Wacker J.G., Fye J.L., Jarrold M.F. Nature. 392:1998;582 Shvartsburg A.A., Liu B., Lu Z.-Y., Wang C.-Z., Jarrold M.F., Ho K.M. Phys. Rev. Lett. 83:1999;2167 Majumder C., Kumar V., Mizuseki H., Kawazoe Y. Phys. Rev. B. 64:2001;233405.
20. Ho K.M., Shvartsburg A.A., Pan B., Lu Z.-Y., Wang C.-Z., Wacker J.G., Fye J.L., Jarrold M.F. Nature. 392:1998;582 Shvartsburg A.A., Liu B., Lu Z.-Y., Wang C.-Z., Jarrold M.F., Ho K.M. Phys. Rev. Lett. 83:1999;2167 Majumder C., Kumar V., Mizuseki H., Kawazoe Y. Phys. Rev. B. 64:2001;233405.
21. Ho K.M., Shvartsburg A.A., Pan B., Lu Z.-Y., Wang C.-Z., Wacker J.G., Fye J.L., Jarrold M.F. Nature. 392:1998;582 Shvartsburg A.A., Liu B., Lu Z.-Y., Wang C.-Z., Jarrold M.F., Ho K.M. Phys. Rev. Lett. 83:1999;2167 Majumder C., Kumar V., Mizuseki H., Kawazoe Y. Phys. Rev. B. 64:2001;233405.
22. Beck S.M. J. Chem. Phys. 90:1989;6306.
23. Ohara M., Koyasu K., Nakajima A., Kaya K. Chem. Phys. Lett. 371:2003;490.
24. Xiao C., Hagelberg F., Lester W.A. Jr. Phys. Rev. B. 66:2002;075425 Kishi R., Iwata S., Nakajima A., Kaya K. J. Chem. Phys. 107:1997;3056.
25. Xiao C., Hagelberg F., Lester W.A. Jr. Phys. Rev. B. 66:2002;075425 Kishi R., Iwata S., Nakajima A., Kaya K. J. Chem. Phys. 107:1997;3056.
26. Jackson K., Nellermoe B. Chem. Phys. Lett. 254:1996;249.
27. Kumar V., Kawazoe Y. Phys. Rev. Lett. 90:2003;055502.
28. V. Kumar, Y. Kawazoe, to be published.
29. Pichierri F., Kumar V., Kawazoe Y. Chem. Phys. Lett. 383:2004;544.
30. Kresse G., Hafner J. J. Phys. Condens. Matter. 6:1994;8245 Kresse G., Furthmüller G. Phys. Rev. B. 54:1996;11169.
31. Kresse G., Hafner J. J. Phys. Condens. Matter. 6:1994;8245 Kresse G., Furthmüller G. Phys. Rev. B. 54:1996;11169.
32. Kumar V., Briere T.M., Kawazoe Y. Phys. Rev. B. 68:2003;155412.
33. M.J. Frisch et al., Gaussian 98, Revision A.11.1, Gaussian Inc., Pittsburgh PA, 2001.
34. Kume T., et al. Phys. Rev. Lett. 90:2003;155503. and references therein Tse J.S., et al. Phys. Rev. Lett. 89:2002;195507. and references therein.
35. Kume T., et al. Phys. Rev. Lett. 90:2003;155503. and references therein Tse J.S., et al. Phys. Rev. Lett. 89:2002;195507. and references therein.
36. Kumar V., Kawazoe Y. Phys. Rev. B. 64:2001;115405.
37. Kumar V., Majumder C., Kawazoe Y. Chem. Phys. Lett. 363:2002;319.
38. Sen P., Mitas L. Phys. Rev. B. 68:2003;155404 Khanna S.N., Rao B.K., Jena P. Phys. Rev. Lett. 89:2002;016803 H. Kawamura, V. Kumar, Y. Kawazoe, to be published Hagelberg F., Xiao C., Lester W.A. Jr. Phys. Rev. B. 67:2003;035426. Small clusters have been also studied by Lu J., Nagase S. Phys. Rev. Lett. 90:2003;115506 Chen Z., Hirsch A., Nagase S., Thiel W., von Rague Schleyer P. J. Am. Chem. Soc. 125:2003;15507.
39. Sen P., Mitas L. Phys. Rev. B. 68:2003;155404 Khanna S.N., Rao B.K., Jena P. Phys. Rev. Lett. 89:2002;016803 H. Kawamura, V. Kumar, Y. Kawazoe, to be published Hagelberg F., Xiao C., Lester W.A. Jr. Phys. Rev. B. 67:2003;035426. Small clusters have been also studied by Lu J., Nagase S. Phys. Rev. Lett. 90:2003;115506 Chen Z., Hirsch A., Nagase S., Thiel W., von Rague Schleyer P. J. Am. Chem. Soc. 125:2003;15507.
40. Sen P., Mitas L. Phys. Rev. B. 68:2003;155404 Khanna S.N., Rao B.K., Jena P. Phys. Rev. Lett. 89:2002;016803 H. Kawamura, V. Kumar, Y. Kawazoe, to be published Hagelberg F., Xiao C., Lester W.A. Jr. Phys. Rev. B. 67:2003;035426. Small clusters have been also studied by Lu J., Nagase S. Phys. Rev. Lett. 90:2003;115506 Chen Z., Hirsch A., Nagase S., Thiel W., von Rague Schleyer P. J. Am. Chem. Soc. 125:2003;15507.
41. Sen P., Mitas L. Phys. Rev. B. 68:2003;155404 Khanna S.N., Rao B.K., Jena P. Phys. Rev. Lett. 89:2002;016803 H. Kawamura, V. Kumar, Y. Kawazoe, to be published Hagelberg F., Xiao C., Lester W.A. Jr. Phys. Rev. B. 67:2003;035426. Small clusters have been also studied by Lu J., Nagase S. Phys. Rev. Lett. 90:2003;115506 Chen Z., Hirsch A., Nagase S., Thiel W., von Rague Schleyer P. J. Am. Chem. Soc. 125:2003;15507.
42. Sen P., Mitas L. Phys. Rev. B. 68:2003;155404 Khanna S.N., Rao B.K., Jena P. Phys. Rev. Lett. 89:2002;016803 H. Kawamura, V. Kumar, Y. Kawazoe, to be published Hagelberg F., Xiao C., Lester W.A. Jr. Phys. Rev. B. 67:2003;035426. Small clusters have been also studied by Lu J., Nagase S. Phys. Rev. Lett. 90:2003;115506 Chen Z., Hirsch A., Nagase S., Thiel W., von Rague Schleyer P. J. Am. Chem. Soc. 125:2003;15507.
43. Sen P., Mitas L. Phys. Rev. B. 68:2003;155404 Khanna S.N., Rao B.K., Jena P. Phys. Rev. Lett. 89:2002;016803 H. Kawamura, V. Kumar, Y. Kawazoe, to be published Hagelberg F., Xiao C., Lester W.A. Jr. Phys. Rev. B. 67:2003;035426. Small clusters have been also studied by Lu J., Nagase S. Phys. Rev. Lett. 90:2003;115506 Chen Z., Hirsch A., Nagase S., Thiel W., von Rague Schleyer P. J. Am. Chem. Soc. 125:2003;15507.
44. H. Kawamura, V. Kumar, Y. Kawazoe, in press.
45. V. Kumar, Y. Kawazoe, to be published.
46. Hiura H., Miyazaki T., Kanayama T. Phys. Rev. Lett. 86:2001;1733.
47. V. Kumar, Y. Kawazoe, to be published.