Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1516691 | Journal of Physics and Chemistry of Solids | 2010 | 5 Pages |
Abstract
We have incorporated the translational rotational (TR) coupling effects in the framework of three body force shell model (TSM) to develop an extended TSM (ETSM). This ETSM has been applied to reveal the second order elastic constants (C11, C12 and C44) in the dilute regimes 0â¤xâ¤0.50. Our theoretical results have reproduced well the observed variations of C11 (x=0.14, 0.43) and C12 (x=0.14, 0.43) with temperature. The anomalous elastic behaviour observed in C44 below 150 K for x=0.43 has been predicted well by ETSM results in the orientationally disordered (NH4I)x(KI)1âx mixed crystals. Our results for C12 are in good agreement with the experimental data available for x=0.14 and 0.43. Besides, the third and fourth order elastic constants and the results on cohesive and thermophysical properties are also discussed.
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Authors
Alpana Tiwari, N.K. Gaur, R.K. Singh,