Ground-state geometries and stability of NanMg (n = 1-12) clusters using ab initio molecular dynamics method

European Physical Journal D

Volumn 6, Issue 4, 1999, Pages 495-500

  Dhavale, Ajeeta ^a   Kanhere, D G ^a   Majumder, C ^b   Das, G P ^b  

^a UNIVERSITY OF PUNE   (India)

^b BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM ALLOYS; GEOMETRY; GROUND STATE; MAGNESIUM ALLOYS; MOLECULAR DYNAMICS; SODIUM ALLOYS;

3 DIMENSIONAL STRUCTURE; AB INITIO MOLECULAR DYNAMICS METHODS; DISSOCIATION ENERGIES; GROUND STATE GEOMETRY; GROWTH PATHS; IMPURITY ATOMS; LARGE CLUSTERS; STABILITY ANALYZE; TRIVALENT IMPURITIES; VALENCE ELECTRON;

BINARY ALLOYS;

EID: 0033163893     PISSN: 14346060     EISSN: None     Source Type: Journal    
DOI: 10.1007/s100530050334     Document Type: Article

References (24)

1. W.D. Knight, K. Clemenger, W.A. de Heer, W.A. Saunders, M.Y. Chou, M.L. Cohen, Phys. Rev. Lett. 52, 2141 (1984).
2. M.Y. Chou, M.L. Cohen, Phys. Lett. A 113, 420 (1986).
3. R. Car, M. Parrinello, Phys. Rev. Lett. 55, 685 (1985).
4. Ajeeta Dhavale, Vaishali Shah, D.G. Kanhere, Phys. Rev. A 57, 4522 (1998).
5. M. Pearson, E. Smargiassi, P.A. Madden, J. Phys. Condens. Matter 5, 3221 (1993).
6. D. Nehete, V. Shah, D.G. Kanhere, Phys, Rev. B 53, 2126 (1996).
7. V. Shah, D. Nehete, D.G. Kanhere, J. Phys. Condens. Matter 6, 10773 (1994).
8. J.L. Martins, J. Buttet, R. Car, Phys. Rev. B, 31, 1804 (1985); U. Rothlisberger, W. Andreoni, J. Chem. Phys. 94, 8129 (1991).
9. J.L. Martins, J. Buttet, R. Car, Phys. Rev. B, 31, 1804 (1985); U. Rothlisberger, W. Andreoni, J. Chem. Phys. 94, 8129 (1991).
10. V. Kumar, R. Car, Phys. Rev. B 44, 8243 (1991).
11. H.P. Cheng, R.S. Berry, R.L. Whetten, Phys. Rev. B 43, 10647 (1991).
12. I. Boustani, W. Pewestorf, P. Fantucci, V. Bonacic-Koutecky, J. Koutecky, Phys. Rev. B 35 9437 (1987).
13. H. Cheng, R. Barnett, Uzi Landman, Phys. Rev. B 48, 1820 (1993).
14. C. Majumder, G.P. Das, S.K. Kulshrestha, V. Shah, D.G. Kanhere, Chem. Phys. Lett. 261, 515 (1996).
15. F. Hagelberg, S. Neeser, N. Sahoo, T. P. Das, Phys. Rev. A 50, 557 (1994).
16. J. Giraud-Girard, D. Maynau, Z. Phys. D 32, 249 (1994).
17. A. Bol, G. Martin, J. M. Lopez, J. A. Alonso, Z. Phys. D 28, 311 (1993).
18. U. Rothlisberger, W. Andreoni, Int. J. Mod. Phys. B 6, 3675 (1992); U. Rothlisberger, W. Andreoni, Chem. Phys. Lett. 198, 478 (1992).
19. U. Rothlisberger, W. Andreoni, Int. J. Mod. Phys. B 6, 3675 (1992); U. Rothlisberger, W. Andreoni, Chem. Phys. Lett. 198, 478 (1992).
20. P. Fantucci, V. Bonacic-Koutecky, W. Pewestort, J. Koutecky, J. Chem. Phys. 89, 4229 (1989).
21. M.M. Kappes, P. Radi, M. Schar, E. Schumacher, Chem. Phys. Lett. 119, 11 (1985).
22. V. Bonacic-Koutecky, L. Cespiva, P. Fantucci, C. Fuchs, M.F. Guest, J. Koutecky, J. Pittner, Chem. Phys. 186, 275 (1994).
23. G.B. Bachelet, D.R. Hamann, M. Schluter, Phys. Rev. B 26, 4199 (1982).
24. W.H. Press, B.P. Flannery, S.A. Teukolsky, W.T. Vetterling, Numerical Recipes (Cambridge University Press, Cambridge, 1987).