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Transition-metal compounds have long been a fertile field to explore new materials and novel properties. In this talk, I will present our recent works about unusual magnetism in some transition-metal compounds, using crystal field level diagrams, density functional calculations, and Monte Carlo simulations. We will show how a joint effect of special ligand field, atomic multiplet and spin-orbit coupling produces a record breaking giant magnetic anisotropy energy for Co, Ru, or Os adatoms on MgO (001) surface [1]. We will explain the surprising high-Tc ferromagnetic metallicity in the disordered perovskite SrFe0.5Ni0.5O3 using the unusual high-spin and high valence states [2]. Moreover, we find a quite strong ferromagnetism in the layered insulator LaSrNiRuO4 with a very unique charge-spin-orbital state [3,4]. [1] X. Ou et al., PRL 115, 257201 (2015). [2] F. Fan et al., PRB 94, 214401 (2016). [3] S. Zhu et al., EPL 117, 37005 (2017) (Editor’s choice). [4] K. Yang et al., JPCC, in press (2018).

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Hua Wu, Shanghai
Konferenzraum Alte Theorie
Contact: Daniel Khomskii/Markus Braden