Magnetothermal properties of CoO2 monolayer from first-principles and Monte Carlo simulations.

Cobalt oxides are known for their excellent heat transfer properties. The main component of cobalt oxides is the CoO₂ monolayer, which exhibits high-temperature superconductivity caused by strong electron–phonon coupling (EPC). We here systematically investigate the structural stability, electronic structure, and magnetism of the CoO₂ monolayer using first-principles and Monte Carlo simulations. On this basis, we further study the changes in the spin energy gap, magnetic axis direction, and other properties of the CoO₂ monolayer with the changes in carrier concentration. By appropriately doping the CoO₂ monolayer with holes, the magnetic axis direction of the CoO₂ monolayer can be reversed, thereby enhancing its potential application in the field of spin electronic devices. Monte Carlo simulation is used to study the regulation of different factors on the magnetothermal properties of the CoO₂ monolayer. Through the analysis of physical parameters such as Curie temperature (T_C) and bandgap, we find that the appropriate carrier concentration and magnetic field can not only regulate the magnetothermal properties of materials but also further improve the efficiency of materials in low-temperature environments. [ABSTRACT FROM AUTHOR]