Crystal field and magnetism with Wannier functions: Orthorhombic rare-earth manganites

0427276 - FZÚ 2015 RIV NL eng J - Článek v odborném periodiku
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
Grant CEP: GA ČR GA13-25251S
Institucionální podpora: RVO:68378271
Klíčová slova: crystal field * rare-earth magnetism
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 1.970, rok: 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.
Trvalý link: http://hdl.handle.net/11104/0232859