In the present study we used some equilibrium experimental data reported by Mammon et al. (Geophysical Research Letters, Vol. 8, No. 2, pp. 140-142) to investigate the effect of high pressure up to 65 GPa on the bulk modulus of calcium oxide (CaO) material. We used the Vinet’s equation of state (EOS) model. The fit of the bulk modulus as a function of pressure p obeys the 2nd order polynomial expression: B = 115.37 + 3.84 p - 7.25 x 10-3 p2 (where both B and p are expressed in GPa). Our results are analyzed and compared with other theoretical data of the literature. Similar behavior for the bulk modulus versus pressure was observed for some other materials with different crystallographic structures from the literature, which commonly increases with increasing pressure. We estimate also the Debye temperature θD of our material of interest using the experiential lattice parameter and elastic constants measured at normal conditions by Speziale et al. (Journal of Geophysical Research, Vol. 111, (2006), pp. B02203 (12 pages)). Our obtained value (670.1 K) is in good agreement with other data of the literature.

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The present work aims to predict the elastic constants and other significant properties of ordered BxAl1-xSb (0 ≤ x ≤ 1) ternary semiconducting alloys. We report the initial results of the elastic stiffness constants, the bulk modulus, the aggregate shear modulus, the Cauchy ratio, the aggregate Young’s modulus, the Born ratio, the isotropy factor, the fracture toughness and the longitudinal, transverse and average sound velocities. The Debye temperature and the melting point were also predicted using two different empirical expressions. Except the Cauchy ratio, which decreases with enhancing boron content x, all other physical quantities of BxAl1-xSb alloys increase gradually and monotonically with increasing of boron concentration x in the range 0-1. Our obtained data for BSb and AlSb binary semiconducting compounds are discussed and analyzed in comparison with experimental and other theoretical values of the literature. Generally, our data for BSb and AlSb are in good agreement with other results reported previously in literature. Indeed, our obtained value (335.82 K) of the Debye temperature for AlSb compound overestimates the result (328.6 K) reported by Salehi et al. by around 2.03%, while that (1520 K) of the melting point for BSb overestimates the result (1500 K) reported recently by Bioud et al. by around 1.34%. Furthermore, to the best of our knowledge, no theoretical or experimental data were reported in the literature on the elastic constants and other properties for BxAl1-xSb alloys to compare with them.