Abstract:
A program has been developed to calculate the Grüneisen parameter γt = - δ ln ωt gd ln V for crystals of NaCl, CsCl, CaF2 and zincblende structures. It allows for the use of different models, various interaction potentials and their parametrizations. © 1995.
Referencias:
- Allan, Braithwaite, Cooper, Mackrodt, Wright, (1991) J. Chem. Phys., 95, p. 6792
- Barron, Batana, Pressure dependence of the optical properties of alkali halide crystals (1969) Philosophical Magazine, 20, p. 619
- Batana, Bruno, (1990) J. Phys. Chem. Solids, 51, p. 1237
- Batana, Bruno, (1991) Computers Chem., 15, p. 225
- Batana, Castillo, Fracchia, (1993) Computers Chem., 17, p. 309
- Batana, Faour, (1985) Phys. Stat. Sol. (b), 130, p. 115
- Batana, Hense, (1980) J. Phys. Chem. Solids, 41, p. 863
- Batana, Soriano, (1983) J. Phys. Chem. Solids, 44, p. 741
- Burstein, (1962) Bull. Amer. Phys. Soc., 7, p. 214
- Catlow, Norgett, (1973) J. Phys. C: Solid State Phys., 6, p. 1325
- Catlow, Norgett, Ross, (1977) J. Phys. C: Solid State Phys., 10, p. 1627
- Clausen, Hayes, Macdonald, Osborn, Schnabel, Hutchings, Magerl, (1987) J. Chem. Soc. Faraday Trans., 83, p. 1109
- Dick, Overhauser, (1958) Phys. Rev., 112, p. 90
- Dickens, Hutchings, (1978) J. Phys. C., 11, p. 461
- Dutt, Agrawal, Shanker, (1985) Phys. Stat. Sol. (b), 132, p. 99
- Ferraro, Horan, Quattrochi, (1971) J. Chem. Phys., 55, p. 664
- Lowndes, (1971) J. Phys. C: Solid State Phys., 4, p. 3083
- Norgett, (1971) J. Phys. C: Solid State Phys., 4, p. 298
- Norgett, (1971) J. Phys C: Solid State Phys., 4, p. 1284
- Samara, (1983) Phys. Rev., 27 B, p. 3494
- Shanker, Dixit, (1991) Phys. Stat. Sol. (a), 123, p. 17
- Shanker, Agrawal, Singh, (1978) J. Chem. Phys., 69, p. 670
- Szigeti, (1949) Trans. Far. Soc., 45, p. 155
- Szigeti, Compressibility and Absorption Frequency of Ionic Crystals (1950) Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 204, p. 51
- Tribe, Batana, (1994) Anales Asoc. Quim. Arg., 82, p. 391
Citas:
---------- APA ----------
Tribe, L., Fracchia, R.M., Bruno, J.A.O. & Batana, A.
(1995)
. Pressure dependence of the transverse optical mode Grüneisen parameter of crystals. Computers and Chemistry, 19(4), 403-408.
http://dx.doi.org/10.1016/0097-8485(95)00043-R---------- CHICAGO ----------
Tribe, L., Fracchia, R.M., Bruno, J.A.O., Batana, A.
"Pressure dependence of the transverse optical mode Grüneisen parameter of crystals"
. Computers and Chemistry 19, no. 4
(1995) : 403-408.
http://dx.doi.org/10.1016/0097-8485(95)00043-R---------- MLA ----------
Tribe, L., Fracchia, R.M., Bruno, J.A.O., Batana, A.
"Pressure dependence of the transverse optical mode Grüneisen parameter of crystals"
. Computers and Chemistry, vol. 19, no. 4, 1995, pp. 403-408.
http://dx.doi.org/10.1016/0097-8485(95)00043-R---------- VANCOUVER ----------
Tribe, L., Fracchia, R.M., Bruno, J.A.O., Batana, A. Pressure dependence of the transverse optical mode Grüneisen parameter of crystals. Comput. Chem. 1995;19(4):403-408.
http://dx.doi.org/10.1016/0097-8485(95)00043-R