Electronic structure and mechanical properties of X2MnSn (XÂ =Â Cu, Ni, Pd) under hydrostatic pressure: GGAÂ +Â U calculations

We investigate the mechanical, electronic and magnetic properties of the full Heusler compounds X2MnSn (X = Cu, Ni, Pd) under hydrostatic pressure using the generalized gradient approximation + U method. We present also a comparison between the electronic and magnetic properties provided by DFT and those computed by DFT + U in the Generalized Gradient Approximation (GGA). GGA + U calculations show that the total magnetic moment decreases with the increase of the hydrostatic pressure, while the elastic constants undergo an inverse behavior. The pressure effect on the electronic structure of these systems is presented and discussed via the densities of states.