Tight-binding model for calcium nanoclusters: Structural, electronic, and dynamical properties

Physical Review B - Condensed Matter and Materials Physics

Volumn 70, Issue 20, 2004, Pages

  Dong, Xiao ^a   Wang, Guan Ming ^a   Blaisten Barojas, Estela ^a  

^a Krasnow Institute for Advanced Study   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCIUM;

ALGORITHM; ARTICLE; ATOM; CALCIUM NANOCLUSTER; CALCULATION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON; ENERGY; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; NANOPARTICLE; STRUCTURE ANALYSIS; TEMPERATURE;

EID: 37649027214     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.205409     Document Type: Article

References (39)

1. G. M. Wang, D. A. Papaconstantopoulos, and E. Blaisten-Barojas, J. Phys. Chem. Solids 64, 185 (2003).
2. J. W. Mirick, C-H. Chien, and E. Blaisten-Barojas, Phys. Rev. A 63, 023202 (2001).
3. J. E. Hearn and R. L. Johnston, J. Chem. Phys. 107, 4674 (1997).
4. J. N. Murrell and R. E. Mottram, Mol. Phys. 69, 571 (1990).
5. T. P. Martin, U. Naher, T. Bergmann, H. Gohlich, and T. Lange, Chem. Phys. Lett. 183, 119 (1991).
6. T. P. Martin, Phys. Rep. 273, 199 (1996).
7. L. A. Heinebrödt, Ph.D thesis, Universitaät Stuttgart, Germany (1999).
8. T. P. Martin (unpublished); see http://scs.gmu.edu/lcdm/Caspectrum.html.
9. G. M. Wang, E. Blaisten-Barojas, A. E. Roitberg, and T. P. Martin, J. Chem. Phys. 115, 3640 (2001).
10. Y. Li, E. Blaisten-Barojas, and D. A. Papaconstantopoulos, Chem. Phys. Lett. 268, 331 (1997).
11. Y. Li, E. Blaisten-Barojas, and D. A. Papaconstantopoulos, Phys. Rev. B 57, 15 519 (1998).
12. C-H. Chien, E. Blaisten-Barojas, and M. R. Pederson, J. Chem. Phys. 112, 2301 (2000).
13. F. Calvo and F. Spiegelmann, J. Chem. Phys. 112, 2888 (2000).
14. M. J. Mehl and D. A. Papaconstantopoulos, Phys. Rev. B 54, 4519 (1996).
15. R. E. Cohen, M. J. Mehl, and D. A. Papaconstantopoulos, Phys. Rev. B 50, 14 694 (1994).
16. J. L. Mercer and M. Y. Chou, Phys. Rev. B 49, 8506 (1994).
17. M. S. Tang, C. Z. Wang, C. T. Chan, and K. M. Ho, Phys. Rev. B 53, 979 (1996).
18. H. Haas, C. Z. Wang, M. Fähnle, C. Elsässer, and K. M. Ho, Phys. Rev. B 57, 1461 (1998).
19. F. Liu, Phys. Rev. B 52, 10 677 (1995).
20. M. W. Finnis, A. T. Paxton, M. Methfessel, and M. van Schilfgaarde, Phys. Rev. Lett. 81, 5149 (1998).
21. S. Fabris, A. T. Paxton, and M. W. Finnis, Phys. Rev. B 61, 6617 (2000).
22. C. Barreteau, D. Spanjaard, and M. C. Desjonquéres, Phys. Rev. B 58, 9721 (1998).
23. C. Barreteau, R. Guirado-López, D. Spanjaard, M. C. Desjonquéres, and A. M. Oles, Phys. Rev. B 61, 7781 (2000).
24. P. Villaseñor-González, J. Dorantes-Dávila, H. Dreyssé, and G. M. Pastor, Phys. Rev. B 55, 15 084 (1997).
25. P. Alvarado, J. Dorantes-Dávila, and G. M. Pastor, Phys. Rev. B 58, 12 216 (1998).
26. M. Menon, J. Connolly, N. Lathiotakis, and A. Andriotis, Phys. Rev. B 50, 8903 (1994).
27. A. N. Andriotis and M. Menon, Phys. Rev. B 57, 10 069 (1998).
28. A. N. Andriotis and M. Menon, Phys. Rev. B 59, 15 942 (1999).
29. Y. Xie and J. A. Blackman, Phys. Rev. B 63, 125105 (2001).
30. R. Poteau and F. Spiegelmann, Phys. Rev. B 45, 1878 (1991).
31. J. C. Slater and G. F. Koster, Phys. Rev. 94, 1498 (1954).
32. G. M. Wang, Ph.D thesis, George Mason University, Fairfax, VA (2002).
33. F. Kirchhoff, M. J. Mehl, N. I. Papanicolaou, D. A. Papaconstantopoulos, and F. S. Khan, Phys. Rev. B 63, 195101 (2001).
34. D. J. Wales and J. P. K. Doye, J. Phys. Chem. A 101, 5111 (1997).
35. J. P. K. Doye and D. J. Wales, J. Chem. Soc., Faraday Trans. 93, 4233 (1997).
36. J. P. K. Doye and D. J. Wales, New J. Chem. 22, 733 (1998).
37. E. Blaisten-Barojas, C-H. Chien, M. R. Pederson, and J. W. Mirick, Chem. Phys. Lett. 395, 109 (2004).
38. C. Kittel, Introduction to Solid State Physics (John Wiley & Sons Inc., New York, 1996).
39. F. A. Lindemann, Phys. Z. 11, 609 (1910).