Combined experimental and quantum chemical study of new complex boride magnets with three-dimensional magnetic networks

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This project combines experiment and theory towards the designed preparation, subsequent characterization and theoretical analysis of new magnetic borides crystallizing with the Th7Fe3 structure type on the one hand and with the double perovskite-type on the other hand. The project targets potential magnets, i.e., ferromagnets, ferrimagnets or antiferromagnets. Experimental and theoretical efforts will first focus on some new intermetallic series, MT6-nT´nB3 (M = 3d magnetically active element; T = 4d transition metal; T´= 5d transition metal; n = 1 - 6), in which the effect of the elements with large spin-orbit-coupling (T´) on the magnetic properties will be studied. Second, the family of double perovskite boride with the general formula M2T6-nT´nB (M = early transition metal; T = 4d transition metal; T´= magnetically active transition metal; n = 0 - 6) will be extended with the search of new ternary and quaternary members, with a particular focus on electrical and magnetic properties. In the two systems theory will guide the experimental exploration, with the aim of designing the best possible functional material. The combination of experiment and theory for condensed matter systems in this project provides the graduate student and postdoctoral associate a truly interdisciplinary problem -- They will clearly learn how different scientific subjects and models impact other areas, thereby learning both experimental and theoretical components of research in modern solid-state chemistry.