Numerical Study of the Transition Metal Oxides and the Transport Properties of Iron Pnictides

Strongly correlated materials such as the manganites and iron pnictides are studied here with several computational techniques. Both types of materials contain transition metals. Thus, our computational models are based on the double exchange mechanism, the super exchange mechanism and the crystal field theory to describe the d electrons. In manganites, we focus on its multiferroic properties induced by the Dzyaloshinskii-Moriya interaction. In the BiFeO3 , we use classical Monte Carlo simulations to study the magnetic critical transition transition. In iron pnictides, we study the interplay between the Fermi surface orbital order and the ground state magnetic order.