Electron correlation effects and magneto-optical properties of yttrium iron garnet

Abstract

The electronic structure, magnetic, optical and magneto-optical properties of yttrium iron garnet (YIG) were investigated by using first-principles calculations with Hubbard energy correction for the treatment of the strong electron correlation. The effective on-site Coulomb interaction parameters Ueff for YIG were determined from the constrained density functional theory within a linear response theory. Our results find a hybridization between the O-2p and Fe-3d orbitals. We also observe the crucial role of the electron correlation of the Fe-3d orbitals according to the magneto-optical properties of YIG.