Specific heat and Thermodynamics of Titanate Perovskite Materials

Abstract

Specific heat and thermodynamical properties of the LaTiO_3+?/2 have been investigated for the first time using extended rigid ion model (ERIM). With the increase of nominal hole doping ?, the system undergoes a phase change from an insulating phase to a metallic phase at ?_c^IM = 0.05 and the low-temperature antiferromagnetic phase disappears at ?_c^mag = 0.08. LaTiO_3+?/2 has been suggested to have promising scientific and technological applications. Our computed specific heat results follow the same trends of variation with corresponding experimental data. The values of specific heats also increase with temperature. The theoretically computed thermodynamical properties of LaTiO_3+?/2 compound are in good agreement with the available experimental results.

Keywords: Thermodynamical properties, Perovskites, Specific heat, Debye temperature, Cohesive energy