Artículo
Abstract:
To study the thermal expansion of fcc metals we propose an interatomic potential that considers both two- and three-body uncoupled forces that allows for the separate evaluation of both contributions. The aim was to develop a simple model that can explain a broad spectrum of lattice properties. This was satisfied by a model with only four independent parameters that are fitted to the experimental values of the second-order elastic constants and the Grüneisen function for T→. We calculate the dispersion curves, the second- and third-order elastic constants, and the temperature dependence of both the heat capacity and the Grüneisen function and compare with experimental data. We also analyze the contribution of each normal mode through its angular frequency and its Grüneisen parameter. © 1993 The American Physical Society.
Registro:
| Documento: | Artículo |
| Título: | Quasiharmonic lattice dynamics of noble metals |
| Autor: | Barrera, G.D.; Batana, A. |
| Filiación: | Facultad de Ciencias Exactas Y Naturales, Universidad de Buenos Aires, Pab. 2 Ciudad Universitaria, 1428 Buenos Aires, Argentina |
| Año: | 1993 |
| Volumen: | 47 |
| Número: | 14 |
| Página de inicio: | 8588 |
| Página de fin: | 8593 |
| DOI: | http://dx.doi.org/10.1103/PhysRevB.47.8588 |
| Título revista: | Physical Review B |
| ISSN: | 01631829 |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01631829_v47_n14_p8588_Barrera |
Referencias:
- Lynn, J.W., Smith, H.G., Nicklow, R.M., (1973) Phys. Rev. B, 8, p. 3493
- Zoli, M., (1990) Phys. Rev. B, 41, p. 7497
- Zoli, M., Santoro, G., Bortolani, V., Maradudin, A.A., Wallis, R.F., (1990) Phys. Rev. B, 41, p. 7507
- Daw, M.S., Baskes, M.I., (1984) Phys. Rev. B, 29, p. 6443
- Ercolessi, F., Parrinello, M., Tosatti, E., Simulation of gold in the glue model (1988) Philosophical Magazine A, 58, p. 213
- Li, M., Goddard, W.A., (1989) Phys. Rev. B, 40, p. 12155
- Overton, W.C., Gaffney, J., (1955) Phys. Rev., 98, p. 969
- Neighbours, J.R., Alers, G.A., (1958) Phys. Rev., 111, p. 707
- White, G.K., Collins, J.G., (1972) J. Low Temp. Phys., 1, p. 43
- Daniels, W.B., Smith, C.S., (1958) Phys. Rev., 111, p. 712
- Hiki, H., Granato, A.V., (1966) Phys. Rev., 144, p. 411
- Ho, P.S., Pourier, J.P., Ruoff, A.L., Pressure Dependence of the Elastic Constants for Silver from 77 to 300 °K (1969) physica status solidi (b), 35, p. 1017
- Miller, A.P., Brockhouse, B.N., (1971) Can. J. Phys., 49, p. 704
- Kamitakahara, W.A., Brockhouse, B.N., (1969) Phys. Lett. A, 29, p. 639
- Prakash, D., Upadhyaya, J.C., (1988) J. Phys. Chem. Solids, 49, p. 91
- Martin, D.L., (1987) Rev. Sci. Instrum., 58, p. 639
- Martin, D.L., (1966) Phys. Rev., 141, p. 576
- McLean, K.O., Swenson, C.A., Case, C.R., (1972) J. Low Temp. Phys., 7, p. 77
Citas:
---------- APA ----------
Barrera, G.D. & Batana, A. (1993) . Quasiharmonic lattice dynamics of noble metals. Physical Review B, 47(14), 8588-8593.http://dx.doi.org/10.1103/PhysRevB.47.8588
---------- CHICAGO ----------
Barrera, G.D., Batana, A. "Quasiharmonic lattice dynamics of noble metals" . Physical Review B 47, no. 14 (1993) : 8588-8593.http://dx.doi.org/10.1103/PhysRevB.47.8588
---------- MLA ----------
Barrera, G.D., Batana, A. "Quasiharmonic lattice dynamics of noble metals" . Physical Review B, vol. 47, no. 14, 1993, pp. 8588-8593.http://dx.doi.org/10.1103/PhysRevB.47.8588
---------- VANCOUVER ----------
Barrera, G.D., Batana, A. Quasiharmonic lattice dynamics of noble metals. 1993;47(14):8588-8593.http://dx.doi.org/10.1103/PhysRevB.47.8588
