The Lattice Dynamics and The Elastic Behaviour of fcc and bcc Ba

Authors : Yasemin ÖZTEKİN ÇİFTCİ, Kemal ÇOLAKOĞLU

Pages : 363-367

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Publication Date : 0000-00-00

Article Type : Research Paper

Abstract :The two-body pairwise E.G.E.P. insert ignore into journalissuearticles values(Extended Generalized Exponantial Potential); type Morse potential and volume dependent energy are assumed to represent the total energy of the Ba crystal. The parametrized potential is used to calculate the second- and third-order elastic constants Cij and Cijk, pressure derivatives of bulk moduli and Grüneisen parameter g . The phonon frequencies are also computed and plotted. The obtained results are compared with available experimental data and, in general, the agreement is good.
Keywords : Turk J Phys, 25, 2001, 363 367 Turk J Phys, vol 25, iss 4