Back to Search
Start Over
First-principles insights into f magnetism: A case study on some magnetic pyrochlores.
- Source :
-
Journal of Magnetism & Magnetic Materials . Nov2015, Vol. 393, p127-131. 5p. - Publication Year :
- 2015
-
Abstract
- First-principles calculations are performed to investigate f magnetism in A 2 Ti 2 O 7 (A=Eu, Gd, Tb, Dy, Ho, Er, Yb) magnetic pyrochlore oxides. The Hubbard U parameter and the relativistic spin orbit correction are applied for a more accurate description of the electronic structure of the systems. It is argued that the main obstacle for the first-principles study of these systems is the multi-minima solutions of their electronic configuration. Among the studied pyrochlores, Gd 2 Ti 2 O 7 shows the least multi-minima problem. The crystal electric field theory is applied for phenomenological comparison of the calculated spin and orbital moments with the experimental data. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 03048853
- Volume :
- 393
- Database :
- Academic Search Index
- Journal :
- Journal of Magnetism & Magnetic Materials
- Publication Type :
- Academic Journal
- Accession number :
- 103724232
- Full Text :
- https://doi.org/10.1016/j.jmmm.2015.05.042