Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
8155993 | Journal of Magnetism and Magnetic Materials | 2015 | 6 Pages |
Abstract
We studied theoretically the crystal field and Zeeman split electronic levels of trivalent rare earths that are distributed over trigonal prismatic sites of the layered Rx/3CoO2 system (closely related to sodium cobaltate NaxCoO2). The calculations were done in the whole basis of 4fn configurations (up to 3000 many-electron determinantal functions) for the ideal trigonal symmetry D3h, as well as for the reduced symmetry C2v that takes into account a more distant neighborhood of the R-sites. Detailed data on the doublet and singlet states for Pr, Nd, Sm, Tb and Dy are presented. The obtained g-factor and the van Vleck susceptibility tensor components are used for calculations of anisotropic magnetic susceptibilities and their temperature dependencies.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
P. Novák, K. KnÞek, Z. Jirák, J. BurÅ¡Ãk,