Abstract
An extended three-body force shell model (ETSM) has been developed for the description of lattice mechanical and anharmonic properties of orientationally disordered materials, like CsCN, by incorporating the effect of coupling between the translational modes and the orientations of cyanide (CN−) molecules in the framework of the original TSM. This ETSM is a more realistic model as it includes the three-body and van der Waals interactions which have quantum mechanical origin and play a vital role in the prediction of Cauchy discrepancy and associated properties of molecular and ionic crystals. We have applied this ETSM, for the first time, to caesium cyanide (CsCN) and successfully predicted its phonon-dispersion, anharmonic and dielectric properties.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
Jenkins, H.D.B., Morris, D.F.C.: Mol. Phys.33, 663 (1978)
Strossner, K., Henkel, W., Hochheimer, H.D., Cardona, M.: Solid State Commun.47, 567 (1983)
Sahu, D., Mahanti, S.D.: Solid State Commun.47, 207 (1983)
Loidl, A., Haussuhl, S., Kjems, J.K.: Z. Phys. B — Condensed Matter50, 187 (1983)
Dultz, W.: Habilitationsschrift, Regensburg 1976 (Unpublished)
Sugisaki, M., Matsuo, T., Suga, H., Seki, H.: Bull. Chem. Soc. Jpn.41, 1747 (1968)
Lely, J.A.: Thesis, Utrecht 1942 (Unpublished)
Natta, G., Passerini, L.: Gazz. Chim. Ital.61, 191 (1931)
Lowdin, P.O.: Ark. Fys.35A 30 (1947)
Michel, K.H., Naudts, J.: Phys. Rev. Lett.39, 212 (1977); J. Chem. Phys.67, 547 (1977)
Jex, H., Maetz, C.J.: Phys. Status Solidi (b)85, 511 (1978)
Strauch, D., Schroder, D., Baurnfeind, W.: Solid State Commun.30, 559 (1979)
Sahu, D., Mahanti, S.D.: Phys. Rev. B26, 2981 (1982)
Singh, R.K., Gaur, N.K., Varshney, G.B.: Phys. Status Solidi (b)136, 457 (1986)
Singh, R.K., Gaur, N.K.: Physica B150, 385 (1988)
Rowe, J.M., Rush, J.J., Vegelatos, N., Price, D.L., Hinks D.G., Susman, S.J.: Chem. Phys.62, 5551 (1975)
Daubert, J., Knorr, K., Dultz, W., Currant, R.: J. Phys. C9, L389 (1976)
Rowe, J.M., Rush, J.J., Price, E., Chesser, J.J.: Ferroelectrics16, 107 (1977)
Ehrhardt, K.D., Press, W., Lefebvrae, T., Haussuhl, S.: Solid State Commun.34, 580 (1980)
Klein, M.L., Ozaki, Y., McDonald, I.R.: J. Phys. C15, 4993 (1982)
Singh, R.K.: Phys. Rep.85, 259 (1982)
Lundqvist, S.O.: Ark. Fys.9, 435 (1955)
Singh, R.K., Sanyal, S.P.: Physica B,132, 201 (1985)
Weast, R.C. (ed.): CRC Handbook of physics and chemistry. Florida: CRC Press 1981
Jenkins, H.D.B., Pratt, K.F.: J. Inorg. Nuclear Chem.38, 1775 (1976)
Sharma, U.C.: Ph. D. Thesis, Agra University (1985)
Shrivastava, U.C.: Phys. Status Solidi (b)100, 641 (1980)
Srinivasan, R., Srinivasan, K.: Phys. Status Solidi (b)57, 757 (1973)
Goyal, S.C., Bakhshi P., Shankar, J.: Solid State Commun.23, 329 (1977)
Singh, R.K., Sanyal, S.P.: Phys. Status Solidi (b)99, 771 (1980)
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Singh, R.K., Gaur, N.K. Lattice mechanical and anharmonic properties of orientationally disordered caesium cyanide. Z. Physik B - Condensed Matter 75, 127–131 (1989). https://doi.org/10.1007/BF01313575
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF01313575