We present an ab initio-based method which gives clear insight into the interplay between the band-f hybridization, the band-f Coulomb exchange, and the crystal-field interactions, as the degree of 4f localization is varied across a series of strongly correlated cerium systems. The predictions for the ordered magnetic moments, magnetic structure, and ordering temperatures are in excellent agreement with experiment, including the occurrence of a moment collapse of non-Kondo origin. In contrast, spin- and orbitally polarized ab initio density functional calculations and local density approximation +U calculations fail to predict, even qualitatively, the trend of the unusual magnetic properties.
Digital Commons Citation
Collins, Eric; Kioussis, Nicholas; Lim, Say; and Cooper, Bernard, "Development of magnetism in strongly correlated cerium systems: non-Kondo mechanism for moment collapse" (2000). Faculty Scholarship. 126.
Collins, Eric., Kioussis, Nicholas., Lim, Say., & Cooper, Bernard. (2000). Development Of Magnetism In Strongly Correlated Cerium Systems: Non-Kondo Mechanism For Moment Collapse. Physical Review B - Condensed Matter and Materials Physics, 62, 11533-11537.