Electronic, magnetic, and optical properties of Gd monopnictides:: An LDA+U study -: art. no. 045140

The electronic structure calculation of Gd monopnictides has been performed by the linear muffin-tin orbital method. The correlation effects among the f states are considered in the local density approximation. The rigid shifts in the 5d and 4f states are required to obtain the correct electronic structure of Gd monopnictides. The calculated magnetic moment is very close to the atomic value. Reflectivity calculations reveal a plasma edge effect in GdP, GdAs, and GdSb and agree well with the experimental results. The resonance like structures in the Kerr rotation and the ellipticity spectrum are found. The deep plasma minimum results in a large Kerr rotation in GdP, GdAs, and GdSb.