Publication Date:
2012-09-26
Description:
Author(s): A. Schrön, C. Rödl, and F. Bechstedt The magnetic-ordering and orbital-occupancy induced distortions of the rocksalt structure below the Néel temperature are computed for antiferromagnetic MnO, FeO, CoO, and NiO by means of spin-polarized density functional theory including generalized-gradient corrections and an on-site Coulomb repuls... [Phys. Rev. B 86, 115134] Published Tue Sep 25, 2012
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics