Unquenched large orbital magnetic moment in NiO

Abstract

Magnetic properties of NiO are investigated by incorporating the spin-orbit interaction in the LSDA+U scheme. It is found that the large part of orbital moment remains unquenched in NiO. The orbital moment contributes about mu_L = 0.29 mu_B to the total magnetic moment of M = 1.93 mu_B, as leads to the orbital-to-spin angular momentum ratio of L/S = 0.36. The theoretical values are in good agreement with recent magnetic X-ray scattering measurements.Comment: 4 pages, 2 figure