Ferromagnetism and ferroelectricity in EuX (X = O, S): pressure effects

Ferromagnetism and ferroelectricity in Eu monochalcogenides have been investigated by ab initio density functional theory in the DFT+ U approach. Exchange interaction parameters and Curie temperatures under pressure are studied and discussed using Heisenberg Hamiltonian with first and second-nearest-neighbor interactions. The calculations showed that the hydrostatic pressure perfectly improves the Curie temperature (EuO: T C = 175 K; EuS: T C = 33.8 K) and in the other hand it cannot induce the spontaneous polarization ( P s ). The effect of uniaxial and biaxial pressure is also studied. Although the uniaxial strains slightly increases the Curie temperature, it ensures the ferrolectricity in these systems by producing a spontaneous polarization of the order of P s (EuO) = 57.50 μ C/cm 2 and P s (EuS) = 42.86 μ C/cm 2 with pressures of 5% and 4%, respectively. The search for new model systems is a necessity to better understand the physics related to multiferroïc materials and to consider possible applications.