Coulomb and exchange interaction effect on magnetic properties of MnO

Abstract

This calculation focus on the effect of Coulomb interaction U and exchange interaction J on spin magnetic moment M s of MnO by using the local spin density approximation plus the Coulomb interaction (LSDA+U) method within full potential linear muffin-tin orbital (FP-LMTO). Our calculated results indicated that the spin magnetic moments correlated to U and J. The relevant results exhibited the increasing spin magnetic moments with increasing Coulomb interaction and exchange interaction. Furthermore, equation of spin magnetic moments, which good correspondence to the experimental data, were obtained and the relation of U and J parameter was defined. © (2012) Trans Tech Publications, Switzerland.