Monte Carlo simulation study of magnetic properties of Fe-doped Li3V2(PO4)3

The Fe-doped Li3V2(PO4)(3) cathode materials for Li-ion batteries are studied by using the Monte Carlo simulations. The thermal magnetizations and magnetic susceptibilities of Li3V2(1-x)Fe2x(PO4)(3) are studied for different values of exchange interactions with different dilutions x. The critical and Neel temperatures have been obtained for different dilution x. The magnetic hysteresis cycle is obtained for different dilution x and for different values of exchange interactions between V-Fe in plane and inter-plane. We have also studied the coercive field (h(C)) as a function of dilution x, crystal field, exchange interactions and temperature. It is observed that hC decreases with increasing dilution x as predicted theoretically.