The shell model and interatomic potentials for ceramics

MRS Bulletin

Volumn 21, Issue 2, 1996, Pages 29-35

  Stoneham, Marshall ^a   Harding, John ^a   Harker, Tony ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; CARRIER CONCENTRATION; COMPUTER SIMULATION; CRYSTALS; INTERFACES (MATERIALS); IONS; LATTICE VIBRATIONS; MATHEMATICAL MODELS; METALS; MOLECULAR DYNAMICS; PERMITTIVITY;

ATOMISTIC MODELS; FIRST PRINCIPLES CALCULATIONS; INTERATOMIC POTENTIALS; INTERIONIC POTENTIALS; IONIC POLARIZABILITY; SHELL MODEL;

CERAMIC MATERIALS;

EID: 0030080584     PISSN: 08837694     EISSN: None     Source Type: Journal    
DOI: 10.1557/S0883769400046273     Document Type: Article

References (18)

1. W. Cochran, The Dynamics of Atoms in Crystals, edited by Edward Arnold (1973).
2. B.G. Dick and A.W. Overhauser, Phys. Rev. 112 (1958) p. 603.
3. M. Wilson and P.A. Madden, J. Phys.: Conden. Matt. 5 (1993) p. 2687.
4. C.R.A. Catlow and A.M. Stoneham, J. Phys. C: Solid Phys. 16 (1983) p. 4321.
5. C.R.A. Catlow and W.C. Mackrodt, eds., Computer Simulation of Solids (Springer-Verlag, 1982).
6. C.P. Wood and N.C. Pyper, Chem. Phys. Lett. 81 (1981) p. 395.
7. N.C. Pyper, Philos. Trans. R. Soc. A 320 (1986) p. 107.
8. N.C. Pyper, Adv. Solid State Chem. 2 (1991) p. 223.
9. J.H. Harding and N.C. Pyper, Philos. Mag. Lett. 71 (1995) p. 113.
10. N.L. Allen, D.L. Cooper, and W.C. Mackrodt, Mol. Simul. 4 (1990) p. 269.
11. C.R.A. Catlow, M. Dixon, and W.C. Mackrodt, in Reference 5, p. 130.
12. J.P. Hoare, P. Masri, and P.W. Tasker, AERE Report R10752 (1983).
13. G.H. Vineyard, J. Phys. Chem. Solids 3 (1957) p. 121.
14. M.H. Yang and C.P. Flynn, Phys. Rev. Lett. 73 (1994) p. 1809.
15. J.H. Harding, J. Nucl. Mater. 202 (1993) p. 216.
16. M.J. Norgett, A.P. Pathak, and A.M. Stoneham, J. Phys. C: Solid State Phys. 10 (1977) p. 555.
17. D.M. Duffy, J.H. Harding, and A.M. Stoneham, Philos. Mag. A 67 (1993) p. 865.
18. A.M. Stoneham, J. Chem. Soc. Faraday Trans. II 85 (1989) p. 505.