61 research outputs found
Nature of bonding and electronic structure in MgB2, a boron intercalation superconductor
Chemical bonding and electronic structure of MgB2, a boron-based newly
discovered superconductor, is studied using self-consistent band structure
techniques. Analysis of the transformation of the band structure for the
hypothetical series of graphite - primitive graphite - primitive graphite-like
boron - intercalated boron, shows that the band structure of MgB2 is
graphite-like, with pi-bands falling deeper than in ordinary graphite. These
bands possess a typically delocalized and metallic, as opposed to covalent,
character. The in-plane sigma-bands retain their 2D covalent character, but
exhibit a metallic hole-type conductivity. The coexistence of 2D covalent
in-plane and 3D metallic-type interlayer conducting bands is a peculiar feature
of MgB2. We analyze the 2D and 3D features of the band structure of MgB2 and
related compounds, and their contributions to conductivity.Comment: 4 pages in revtex, 3 figures in 4 separate EPS file
From 0 to II in one-electron steps: a series of ruthenium complexes supported by tropPPh2
We report the synthesis of a series of ruthenium complexes supported by the phosphine olefin ligand tropPPh2 (trop=5-H-dibenzo-[a,d]cyclohepten-5-yl) in the oxidation states 0, +I, and +II, formed via successive one-electron oxidization steps from Ru(0) (tropPPh2 )2 . The bidentate character of the tropPPh2 ligand and its steric hindrance force the complexes to adopt uncommon geometries, which were investigated by X-ray diffraction analysis. EPR data of the mononuclear Ru(I) complex reveal couplings of the unpaired spin with the ruthenium and two phosphorus nuclei, as well as the olefinic protons which show that the spin is mainly localized on the Ru(I) center
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