Investigation of the electronic and magnetic properties of bare and oxygen-terminated ordered double transition-metal MXenes for spintronic applications
Aymila Akyıldız, Isil Ilgaz Aysan, Yusuf Zuntu Abdullahi, Berna Akgenç, Zeynep Demir Vatansever, Fatih Ersan
Abstract
parameters for each considered MXene structure systematically instead of taking them randomly. The investigated MXene structures have striking properties with respect to their magnetic ground states, and show ferromagnetic to antiferromagnetic or non-magnetic properties, accompanied by semiconductor to metallic or semi-metallic properties, depending on the transition metal(s) or termination by oxygen. We have performed Monte Carlo simulations to obtain the magnetic phase transition temperature of each structure. Additionally, coercivity and remanence values have been calculated for ferromagnetic cases, and we have investigated the hysteresis features of the MXenes of interest by applying a cyclic magnetic field at several temperatures.