Specific heat of hole-doped vanadates: Y1−xCaxVO3, Pr1-xCaxVO3 and Nd1−xSrxVO3

• Specific heat increases with decreasing doping level and increase in temperature.
• Effect of lattice distortions on bulk modulus and thermal properties is presented.
• MRIM has successfully predicted the cohesive properties of Ca/Sr-doped RVO3.

We have investigated the specific heat of hole-doped vanadium oxides Y1−xCaxVO3 (0 ≤ x ≤ 0.11), Pr1−xCaxVO3 (0 ≤ x ≤ 0.3) and Nd1−xSrxVO3 (0 ≤ x ≤ 0.2) probably for the first time by applying the Modified Rigid ion model (MRIM). The results obtained on temperature dependent (1 K ≤ T ≤ 300 K) specific heat are in reasonably good agreement with the experimental data. The impact of lattice distortions on the elastic and thermal properties of the present Mott insulators is portrayed by an atomistic approach. The scope of further improvement in the present model has also been discussed.