Abstract
A lattice dynamical study of the geophysically important mineral MgSiO3 in its orthorhombic perovskite phase, with space group Pnma (D 162h ) has been carried out using a rigid ion model, with the potential consisting of Coulombic and short-ranged interactions. With the help of program DISPR, the ionic charges and radii were optimized using the equilibrium conditions. The resulting potential model is employed to predict the elastic constants and the phonon dispersion relations. The computed long wavelength optic modes are in good agreement with the corresponding experimental Raman and infrared active bands. The phonon density of states has been obtained and is used to evaluate the specific heat, the mean square displacements and thermal parameters of atoms.
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References
Chaplot S L 1978A computer program for external modes in complex ionic crystals (rigid molecular-ion model), BARC report 972
Choudhury N, Chaplot S L and Rao K R 1986Phys. Rev. B33 8607
Hemley R J, Jackson M D and Gordon R G 1987Phys. Chem. Min. 14 2
Horiuchi H, Ito E and Weidner J 1987Am. Miner. 72 357
Ito E and Matsui Y 1978Earth Planet Sci. Lett. 38 443
Kudoh Y, Ito E and Takeda H 1987Phys. Chem. Min. 14 350
Liu L G 1979Geophys. Res. Lett. 2 417
Matsui M, Akaogi M and Matsumoto T 1987Phys. Chem. Min.14
Megaw H 1972Crystal structures, A working approach (Philadelphia: Samders)
Rao K R, Chaplot S L, Choudhury N, Ghose S and Price D L 1987Science 236 64
Reid A F and Ringwood A E 1975J. Geophys. Res. 80 3363
Wall A, Price G D and Parker S C 1986Min. Mag. 50 693
Williams Q, Jeanloz R and McMillan P 1987J. Geophys. Res. B92 8116
Yagi T, Kwang M H and Bell P M 1978Phys. Chem. Min. 3 97
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Choudhury, N., Chaplot, S.L., Rao, K.R. et al. Lattice dynamics of MgSiO3 perovskite. Pramana - J. Phys. 30, 423–428 (1988). https://doi.org/10.1007/BF02935597
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DOI: https://doi.org/10.1007/BF02935597