orbital moments;
anisotropy;
-;
magnetocrystalline;
transition metal-oxides;
band calculations;
D O I:
10.1016/S0304-8853(98)00038-9
中图分类号:
T [工业技术];
学科分类号:
08 ;
摘要:
Using the rotationally invariant LDA + U approach we investigate the effect of the rhombohedral distortion on the orbital magnetism of FeO. The latter plays a very important role both for stretching and compressive deformations. In the first case. a large orbital magnetic moment is stabilized along the [1 1 1] direction of the cube and causes similar reorientation for the spin counterpart. Opposite distortion (compression) turns the magnetic moments to the plane (1 1 1) where the orbital component is least quenched. (C) 1998 Elsevicr Science B.V. All rights reserved.