Structural and electronic properties of neutral and charged silicalike clusters

Physical Review B - Condensed Matter and Materials Physics

Volumn 57, Issue 6, 1998, Pages 3333-3339

  Chelikowsky, James R ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000300697     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.57.3333     Document Type: Article

References (44)

1. K. Jackson, M.R. Pederson, D. Porezag, Z. Hajnal, and T. Frauenheim, Phys. Rev. B 55, 2549 (1997).
2. K. Raghavachari and C.M. Rohlfing, J. Chem. Phys. 84, 5672 (1991).
3. U. Röthlisberger, W. Andreoni, and M. Parrinello, Phys. Rev. Lett. 72, 665 (1994); J.R. Chelikowsky, S. Öğüt, I. Vasiliev, A. Stathopoulos, and Y. Saad, in Theory of Atomic and Molecular Clusters, edited by J. Jellinek (Springer, New York, in press).
4. E. Kaxiras and K. Jackson, Phys. Rev. Lett. 71, 727 (1993), and references therein.
5. G.V. Gibbs, F.C. Hill, and M.B. Boisen, Jr., in Modeling of Minerals and Silicated Materials, edited by B. Silvi and P. D’Arco (Kluwer Academic, Dordrect, 1997), p. 157;
6. G.V. Gibbs, J.W. Downs, and M.B. Boisen Jr, Rev. Mineral. 29, 331 (1994).
7. X. Jing, N. Troullier, J.R. Chelikowsky, K. Wu, and Y. Saad, Solid State Commun. 96, 231 (1995).
8. N. Binggeli and J.R. Chelikowsky, Phys. Rev. Lett. 75, 493 (1995).
9. S. Öğüt and J.R. Chelikowsky, Phys. Rev. B 55, R4914 (1997).
10. L.-S. Wang, S.R. Desai, H. Wu, and J.B. Nicholas, Z. Phys. D 40, 36 (1997).
11. J. Fan, J. B. Nicholas, J. M. Price, S. D. Colson, and L. S. Wang, J. Am. Chem. Soc. 117, 5417 (1995).
12. L. S. Wang, J. B. Nicholas, M. Dupuis, H. Wu, and S. D. Colson, Phys. Rev. Lett. 78, 4450 (1997).
13. J.R. Chelikowsky and M.L. Cohen, in Handbook on Semiconductors, edited by P. Landsberg (Elsevier, Amsterdam, 1992), Vol. 1, p. 59.
14. N. Troullier and J.L. Martins, Phys. Rev. B 43, 8861 (1991).
15. D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45, 566 (1986).
16. J.P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
17. J.R. Chelikowsky, N. Troullier, and Y. Saad, Phys. Rev. Lett. 72, 1240 (1994).
18. J.R. Chelikowsky, N. Troullier, X. Jing, D. Dean, N. Binggeli, K. Wu, and Y. Saad, Comput. Phys. Commun. 85, 325 (1995).
19. J.R. Chelikowsky, N. Troullier, K. Wu, and Y. Saad, Phys. Rev. B 50, 11 355 (1994).
20. N. Binggeli, N. Troullier, J.L. Martins, and J.R. Chelikowsky, Phys. Rev. B 44, 4771 (1991).
21. F. Gygi and G. Galli, Phys. Rev. B 52, R2229 (1995).
22. D.R. Hamann, M. Schlüter, and C. Chiang, Phys. Rev. Lett. 43, 1494 (1979).
23. J.R. Chelikowsky, X. Jing, K. Wu, and Y. Saad, Phys. Rev. B 53, 12 071 (1996).
24. Y. Saad, A. Stathopoulos, J.R. Chelikowsky, K. Wu, and S. Öğüt, BIT 36, 563 (1996).
25. R. Biswas and D.R. Hamann, Phys. Rev. B 34, 895 (1986).
26. N. Binggeli and J.R. Chelikowsky, Phys. Rev. B 50, 11 764 (1994).
27. D. Deaven and K.M. Ho, Phys. Rev. Lett. 75, 288 (1995).
28. M. O’Keefe, B. Domengés, and G.V. Gibbs, J. Phys. Chem. 89, 2304 (1985).
29. J. Phys. Chem.M. O’Keefe and G.V. Gibbs, 89, 4574 (1985).
30. K.L. Geisinger, G.V. Gibbs, and A. Navrotsky, Phys. Chem. Miner. 11, 266 (1985).
31. Phys. Chem. Miner.A.C. Lasaga and G.V. Gibbs, 14, 107 (1987) and references therein.
32. S. Tsuneyuki, M. Tsukada, H. Aoki, and Y. Matsui, Phys. Rev. Lett. 61, 869 (1988).
33. M. O’Keefe and G.V. Gibbs, J. Chem. Phys. 81, 876 (1984).
34. S.S. Oren and E. Spedicato, Math. Program. 10, 70 (1976).
35. ibid. D.F. Shanno and K.-H. Phua, Math. Program. 14, 149 (1978).
36. N. Chetty, M. Weinert, T.S. Rahman, and J.W. Davenport, Phys. Rev. B 52, 6313 (1995).
37. J. Fan, J.B. Nicholas, H. Wu, S.D. Colson, and L.S. Wang, J. Chem. Phys. 102, 8277 (1995).
38. F.L. Galeener, Solid State Commun. 44, 1037 (1982).
39. F.L. GaleenerJ. Non-Cryst. Solids 49, 53 (1982).
40. J.S. Anderson and J.S. Ogden, J. Chem. Phys. 51, 4189 (1969).
41. W.G. Wyckoff, Crystal Structures, 4th ed. (Interscience, New York, 1974).
42. M.R. Zachariah and W. Tsang, Aerosol. Sci. Technol. 19, 499 (1993) and references therein.
43. S. Nosé, Mol. Phys. 52, 255 (1984).
44. R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985).