Abstract
One of the most fundamental problems of materials science is to describe the microscopic structure of condensed matter. For crystalline matter, this problem can be viewed as “solved in principle”, as one can now accurately determine the structure of simple crystals. For example, the structure of virtually all elemental solids can now be determined from first principles1. However, for large clusters of atoms without periodic symmetry, few good methods, either experimental or theoretical, exist for describing the structure of such systems.
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References
J.R. Chelikowsky and S.G. Louie, Phys. Rev. B29:3490 (1984), C.T. Chan, D. Vanderbilt and S.G. Louie, Phys. Rev. B33:2455 (1986). J.R. Chelikowsky and M.Y. Chou, Phys. Chem Minerals, 14:308 (1987) and references therein.
K. Raghavachari, J. Chem. Phys. 83:3520 (1985), ibid, 84:5672 (1986) and to be published.
D. Tomanek and M. Schlüter, Phys. Rev. Lett. 56:1055 (1986), Phys. Rev. B, 36:1208 (1987).
J.R. Chelikowsky and R. Redwing, Solid State Comm. 64:843 (1987).
J.R. Chelikowsky, Phys. Rev. Lett. 60:2669 (1988).
F. Stillinger and T. Weber, Phys. Rev. B31:5262 (1985).
R. Biswas and D.R. Hamann, Phys. Rev. Lett. 55:2001 (1985); Phys. Rev. B36:6434 (1987).
J. Tersoff, Phys. Rev. Lett. 56:632 (1986).
B.W. Dodson, Phys. Rev. B35:2795 (1987).
M.I. Baskes, Phys. Rev. Lett. 59:2666 (1987).
J.R. Chelikowsky, J.C. Phillips, M. Kamal and M. Strauss, Phys. Rev. Lett. 62:292 (1989).
See D.J. Chadi, Phys. Rev. B29:785 (1984) and references therein for a general description of this technique applied to semiconductor surfaces.
For details see Refs. 7, 9 and 14.
P.C. Kelores and J. Tersoff, Phys. Rev. Lett. 61:562 (1988).
M.T. Yin and M.L. Cohen, Phys. Rev. B26:5668 (1982).
S. Saito, S. Oshishi and S. Sugaro, Phys. Rev. B33:7036 (1986).
J.L. Elkind, J.M. Alford, F.D. Weiss, R.T. Laaksonen, and R.E. Smalley, J. Chem. Phys. 87:2397 (1987).
J.C. Phillips, J. Chem. Phys. 88:2090 (1988).
E. Blaisten-Barojas and D. Levesque, Phys. Rev. B34:3910 (1986).
B. Feuston, R.K. Kalia and P. Vashista, Phys. Rev. B37:6297 (1988).
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© 1989 Plenum Press, New York
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Chelikowsky, J.R. (1989). The Atomistic Structure of Silicon Clusters and Crystals: From the Finite to the Infinite. In: Vitek, V., Srolovitz, D.J. (eds) Atomistic Simulation of Materials. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-5703-2_7
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DOI: https://doi.org/10.1007/978-1-4684-5703-2_7
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