Artículo

Estamos trabajando para incorporar este artículo al repositorio
Consulte el artículo en la página del editor
Consulte la política de Acceso Abierto del editor

Abstract:

An analysis is given for the application of different empirical methods and their adaptation in order to study the pressure dependence of ionic polarizabilities of more complex materials than those already studied. Comparison of results shows that upper and lower bounds can be obtained but, for further precision in the proposals, it would be necessary in the future to overcome the known limitations of ab initio calculations when applied to complex systems at different pressures. Intermediate more sophisticated evaluations in order to guide the study with empirical methods are discussed. © 2005 Pleiades Publishing, Inc.

Registro:

Documento: Artículo
Título:Pressure dependence of ionic polarizabilities in crystals
Autor:Batana, A.; Bruno, J.A.O.; Monard, M.C.
Filiación:Universidad de Buenos Aires, Fac. de Ciencias Exactas Y Naturales, Depto. Quim. Inorg., Analitica Y Q., Buenos Aires, C1428EHA, Argentina
Universidade de São Paulo/ILTC, Inst. de Cie. Matemat. de S. Carlos, Depto. de Cie. de Comp. e Estat., São Carlos, SP, 13560-970, Brazil
Año:2005
Volumen:41
Número:3
Página de inicio:293
Página de fin:297
DOI: http://dx.doi.org/10.1007/s10789-005-0126-9
Título revista:Inorganic Materials
Título revista abreviado:Inorg. Mater.
ISSN:00201685
CODEN:INOMA
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00201685_v41_n3_p293_Batana

Referencias:

  • Dick Jr., B.C., Overhauser, A.W., Theory of Dielectric Constants of Alkali Halide Crystals (1958) Phys. Rev., 112, pp. 90-103
  • Havinga, E.E., Contribution to the Theory of the Dielectric Properties of the Alkali Halides (1960) Phys. Rev., 119, pp. 1193-1198
  • Luty, T., Dynamic Multipoles in Molecular Crystals (1977) J. Chem. Phys., 66, pp. 1231-1236
  • Luty, T., Uszyński, I., Polaritons in Molecular Crystals (1980) J. Chem. Phys., 72, pp. 1369-1376
  • Shanker, J., Dixit, S., (1991) Phys. Status Solidi A, 123, pp. 17-50
  • J̈emmer, P., Fowler, P.W., Wilson, M., Madden, P.A., Environmental Effects on Anion Polarizability: Variation with Lattice Parameter and Coordination Number (1998) J. Phys. Chem., 102, pp. 8377-8385
  • Wilson, M., Madden, P.A., J̈emmer, P., Models of Environmental Effects on Anion Polarizability (1999) Mol. Phys., 96, pp. 1457-1467
  • Batana, A., Bruno, J., Munn, P.W., Anion Polarizability Functions in Alkali Halide Crystals (1997) Mol. Phys., 92, pp. 1029-1033
  • Tessman, J.R., Kahn, A.H., Shockley, W., Electronic Polarizabilities of Ions in Crystals (1953) Phys. Rev., 92, pp. 890-895
  • Mahan, G.D., Subbaswamy, K.R., (1990) Local Theory of Polarizability, , London: Plenum
  • Pyper, N.C., Ab-Initio Calculations of Inter-ionic Potentials and the Cohesive Properties of Ionic Solids (1991) Adv. Solid State Chem., 2, pp. 223-293
  • Harding, J.H., Pyper, N.C., The Meaning of the Oxygen Second-Electron Affinity and Oxide Potential Models (1995) Philos. Mag. Lett., 71, pp. 113-121
  • Fowler, P.W., Madden, P.A., In-Crystal Polarizabilities of Alkali and Halide Ions (1984) Phys. Rev. B: Condens. Matter, 29, pp. 1035-1042
  • Fowler, P.W., Madden, P.A., Fluctuating Dipoles and Polarizabilities in Ionic Materials: Calculations on LiF (1985) Phys. Rev. B: Condens. Matter, 31, pp. 5443-5455
  • Fowler, P.W., Pyper, N.C., In-Crystal Ionic Polarizabilities Derived by Combining Experimental and Ab Initio Results (1985) Proc. R. Soc. London, A, 398, p. 377
  • Fowler, P.W., Munn, R.W., Tole, P., Polarisability of the Oxide Ion in Crystalline BeO (1991) Chem. Phys. Lett., 176, pp. 439-445
  • Wilson, M., Madden, P.A., Peebles, S.A., Fowler, P.W., Cation Polarization and the Crystal Structure of SnO (1996) Mol. Phys., 88, pp. 1143-1153
  • Johannsen, P.O., Reiß, G., Bohle, U., Refractive Index of Alkali Halides: II. Effect of Pressure on the Refractive Index of 11 Alkali Halides (1997) Phys. Rev. B: Condens. Matter, 55, pp. 6865-6870
  • Bendow, B., Gianino, P.D., Tsay, Y.F., Mitra, S.S., Pressure and Stress Dependence of the Refractive Index of Transparent Crystals (1974) Appl. Opt., 13, pp. 2382-2396
  • Fontanella, J., Andeen, C., Schuele, D., Pressure and Temperature Derivatives of the Low-Frequency Dielectric Constants of LiF, NaF, NaCl, NaBr, KCl, and KBr (1972) Phys. Rev. B: Condens. Matter, 6, pp. 582-590
  • Batana, A., Bruno, J.A.O., Monard, M.C., Ionic Polarizabilities in Crystals at High Pressures (2001) J. Phys. Chem. Solids, 62, pp. 1243-1245
  • Monard, M.C., Batana, A., Bruno, J.A.O., Calculation of the Pressure Dependence of Anion Polarizabilities in Crystals (1999) Comput. Chem., 23, pp. 493-501
  • Monard, M.C., Bruno, J., Faour, J., Batana, A., Pressure Dependence of Ionic Polarizabilities in Crystals (2001) Comput. Chem., 25, pp. 429-438

Citas:

---------- APA ----------
Batana, A., Bruno, J.A.O. & Monard, M.C. (2005) . Pressure dependence of ionic polarizabilities in crystals. Inorganic Materials, 41(3), 293-297.
http://dx.doi.org/10.1007/s10789-005-0126-9
---------- CHICAGO ----------
Batana, A., Bruno, J.A.O., Monard, M.C. "Pressure dependence of ionic polarizabilities in crystals" . Inorganic Materials 41, no. 3 (2005) : 293-297.
http://dx.doi.org/10.1007/s10789-005-0126-9
---------- MLA ----------
Batana, A., Bruno, J.A.O., Monard, M.C. "Pressure dependence of ionic polarizabilities in crystals" . Inorganic Materials, vol. 41, no. 3, 2005, pp. 293-297.
http://dx.doi.org/10.1007/s10789-005-0126-9
---------- VANCOUVER ----------
Batana, A., Bruno, J.A.O., Monard, M.C. Pressure dependence of ionic polarizabilities in crystals. Inorg. Mater. 2005;41(3):293-297.
http://dx.doi.org/10.1007/s10789-005-0126-9