| Abstract Scope |
Lanthanum cobaltate (LaCoO₃, LCO) is a correlated transition metal oxide that has garnered significant interest for applications in solid oxide fuel cells, catalysis, sensors, and spintronic devices. However, its magnetic and thermodynamic properties remain incompletely understood due to the presence of complex spin configurations. In this work, the magnetic thermodynamics of LaCoO₃ perovskite are systematically investigated using zentropy theory, a partition function-based framework for thermodynamic prediction, in conjunction with ab initio calculations. All relevant structural and spin configurations of LaCoO₃ are incorporated into the partition function to enable a comprehensive statistical description. Using this superposition approach, the entropy, heat capacity, thermal expansion, and charge disproportionation of LaCoO₃ are successfully predicted, explicitly accounting for magnetic transitions. The predicted results show excellent agreement with available experimental data. |