Green Function Treatment of the Barocaloric Effect in Mn3GaN.

Following our previous work on the magnetocaloric compounds FeMnAs_xP 1 − x , we obtain thermomagnetic properties for the barocaloric antiperovskite Mn₃GaN, which has been investigated in recent years in view of its thermal response under pressure cycling. Its structure displays canting of spins and a volume dilation in the antiferromagnetic (AFM) transition, related to magnetoelastic coupling. A random-phase-approximation (RPA) Green function theoretical treatment is applied to a two-exchange parameter Heisenberg model, and the canting of the spins orientation in the (111) planes of the structure is considered in the model. The observed first-order AFM phase transitions are reproduced by the introduction of a biquadratic spin term in the Hamiltonian, coupled to the volume dilation in the transition. The model is able to predict a greater stability for the canted spin structure as compared with conventional AFM, if the magnitudes of Mn magnetic moments in these structures are taken from the literature. The calculations of quantities of interest for barocaloric applications reproduce quite well the available data on temperature changes and latent heat under pressure cycling, at adiabatic and isothermal conditions, respectively. [ABSTRACT FROM AUTHOR]