Correlation effects on the electronic structure of Co2Mn0.5Fe0.5Si and Co2Mn0.5Gd0.5Si quaternary alloys

In this work, density functional FP-LAPW + lo calculations have been performed to study the structural, electronic and magnetic properties of the quaternary full Heusler compounds Co2Mn0.5Fe0.5Si and Co2Mn0.5Gd0.5Si. For the exchange–correlation potential we have adopted the generalized gradient approximation (GGA). In order to take into account the correlation effects, we have also performed the GGA + U calculations. The calculated atomic resolved density of states of the systems indicates nearly half-metallic behavior with small spin-down electronic density of states at Fermi level. This behavior is corrected by including Hubbard parameters.