Abstract:We have investigated the elastic, cohesive and thermal properties of (Lu, Sc) VO 3 and Sc 1−x LuxVO 3 (0.6 ≤ x ≤ 0.9) perovskites by means of a modified rigid ion model (MRIM). The variation of specific heat is determined following the temperature driven structural phase transitions. Also, the effect of lattice distortions on the elastic and thermal properties of the present pure and doped vanadates has been studied by an atomistic approach. The calculated bulk modulus (B T ), reststrahlen frequency (ν 0 ), co… Show more
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