Dresden 2020 – scientific programme
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MA: Fachverband Magnetismus
MA 50: Permanent Magnets
MA 50.6: Talk
Thursday, March 19, 2020, 16:30–16:45, HSZ 101
Magnetic properties of “1-5” intermetallic compounds from first principles — •Olga Vekilova1, Heike C. Herper1, and Olle Eriksson1, 2 — 1Uppsala University, Uppsala, Sweden — 2Örebro University, Örebro, Sweden
Permanent magnets are of vital importance for sustainable industry and in particular, are parts of most of the sources of “green” energy. The RECo5, so-called “1-5” intermetallic compounds with the hexagonal CaCu5 structure, where RE represents the rare-earth elements, such as Ce, Sm, Gd, etc., have been attracting attention primarily due to their excellent magnetic properties. These magnets exhibit very high value of magnetocrystalline energy (MAE), the key intrinsic property for the applications[1]. However theoretical studies of RECo5 are very limited due to difficulties in the description of localized 4f-states of RE-elements. One of the well-known examples is GdCo5, where the symmetry of the Gd 4f shell causes crystal field effects to vanish [2]. The absence of crystal-field effects makes GdCo5 a particularly useful system to study the rare-earth/transition-metal interaction via both theory and experiment. This system also has relatively high MAE, which can be further improved by doping and pressure. Using our improved theoretical methodology, we studied the magnetic properties of pure and doped 1-5 compounds. The results on magnetization, MAE, and Curie temperature will be presented and analyzed. We will also show how doping of RECo5 allows changing of its magnetic properties in a controlled manner. [1] J. Phys.: Condens. Matter 30 195801 (2018) [2] Phys. Rev. Materials 3, 034409 (2019)