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Martin Hermus and Boniface P. T. Fokwa Experimental and First-Principles Studies of the Ternary Borides Ta3Ru5B2 and M3–xRu5+xB2 (M = Zr, Hf) European Journal of Inorganic Chemistry 2014

Version of Record online: 3 JUN 2014 | DOI: 10.1002/ejic.201402206

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Three new Ru-rich ternary borides with the Ti3Co5B2-type structure have been synthesized. Their electronic densities of states possess a large pseudogap at the Fermi level and closely follow the rigid band model. Bonding analyses indicated that Ru–B and Ru–M interactions are mainly responsible for their structural stability and that M–M interactions behave differently according to circumstance.

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