SKM 2023 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 7: Computational Magnetism
MA 7.9: Vortrag
Montag, 27. März 2023, 17:00–17:15, HSZ 02
Cu(VO)2(AsO4)2 with ferromagnetic V-V and antiferromagnetic Cu-V interactions — •Victoria Ginga1,2, Alexander Tsirlin1, and Oleg Siidra2 — 1Universität Leipzig, Felix Bloch Institute for Solid State Physics, Linnestraße 5, 04109 Leipzig — 2St. Petersburg, Russia
Recent years have seen an increased interest in studying the magnetic properties of mineral-like compounds. The Cu(VO)2(AsO4)2 obtained by the CVT reaction method reproducing exhalative conditions has a new type of structure, which is characterized by layers formed by two [1+4+1]V4+-tOeq-[1+4+1]V4+ and one [1+4+1]V4+-vOeq-[1+4+1]V4+ linkages of V-centered octahedra. Arsenate groups decorate vanadate layers via corner-sharing with the VO6 octahedra, while single CuO6 octahedra are connecting vanadate layers into a framework via edge-sharing. Our ab initio calculations show that the magnetism of Cu(VO)2(AsO4)2 is dominated by the antiferromagnetic Cu-V coupling JCu-V = 257 K and the ferromagnetic V-V coupling JV-V =-277 K. This high energy scale is not uncommon in both Cu2+ and V4+ oxide compounds with the edge-shared octahedral geometry. Our results show the formation of unusual interaction geometries through the mixing of different spin-1/2 ions in the crystal structure. Experimental and computational results of the study of the Cu(VO)2(AsO4)2 with two distinct spin-1/2 magnetic ions will be presented.