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Superconductivity in multi-phase Mg-B-O compounds

2012, Prikhna, T., Gawalek, W., Eisterer, M., Weber, H.W., Noudem, J., Sokolovsky, V., Chaud, X., Moshchil, V., Karpets, M., Kovylaev, V., Borimskiy, A., Tkach, V., Kozyrev, A., Kuznietsov, R., Dellith, J., Shmidt, C., Basyuk, T., Litzkendorf, D., Karau, F., Dittrich, U., Tomsic, M.

Structures of MgB2-based materials manufactured under pressure (up to 2 GPa) by different methods having high superconducting performance and connectivity are multiphase and contain different Mg-B-O compounds. Some oxygen can be incorporated into MgB2 and boron into MgO structures, MgBx (X=4-20) inclusions contain practically no oxygen. Regulating manufacturing temperature, pressure, introducing additions one can influence oxygen and boron distribution in the materials and thus, affect the formation, amount and sizes of Mg-B-O and MgBx inclusions and changing type of pinning, pinning force and so affect critical current density jc. The boron concentration increase in initial Mg and B mixture allows obtaining sample containing 88.5 wt% of MgB12 with Tc of 37.4 K (estimated magnetically).

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Quantum chemical insights into hexaboride electronic structures: correlations within the boron p-orbital subsystem

2022, Petersen, Thorben, Rößler, Ulrich K., Hozoi, Liviu

The notion of strong electronic correlations arose in the context of d-metal oxides such as NiO but can be exemplified on systems as simple as the H2 molecule. Here we shed light on correlation effects on B62− clusters as found in MB6 hexaborides and show that the B 2p valence electrons are fairly correlated. B6-octahedron excitation energies computed for CaB6 and YbB6 agree with peak positions found by resonant inelastic x-ray scattering, providing a compelling picture for the latter. Our findings characterize these materials as very peculiar p-electron correlated systems and call for more involved many-body investigations within the whole hexaboride family, both alkaline- and rare-earth compounds, not only for N- but also (N ± 1)-states defining e. g. band gaps.