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Crystal field and magnetism with Wannier functions: Orthorhombic rare-earth manganites
- 1.0427276 - FZÚ 2015 RIV NL eng J - Journal Article
Novák, Pavel - Nekvasil, Vladimír - Knížek, Karel
Crystal field and magnetism with Wannier functions: Orthorhombic rare-earth manganites.
Journal of Magnetism and Magnetic Materials. 358-359, MAY (2014), s. 228-232. ISSN 0304-8853. E-ISSN 1873-4766
R&D Projects: GA ČR GA13-25251S
Institutional support: RVO:68378271
Keywords : crystal field * rare-earth magnetism
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 1.970, year: 2014
The crystal field parameters of seven R3+ions (R=Pr, Nd, Sm, Eu, Gd,Tb,Dy) in RMnO3 perovskites were calculated using the combination of the band structure and Wannier function calculations. Inserting the crystalfield obtained in this way, in the atomic-like problem, which takes into account also the electron–electron correlation, the spin–orbit coupling and the Zeeman interaction, the splitting of the multiplets by the crystal field and the magnetic properties of the R3+ ions were obtained. The calculation is compared with the available experimental results.
Permanent Link: http://hdl.handle.net/11104/0232859
Number of the records: 1