Portraits of some representatives of metal boride carbide and boride silicide compounds

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• 作者：Mouna Ben Yahia ; Jé ; rô ; me Roger ; Xavier Rocquefelte ; Ré ; gis Gautier ; Joseph Bauer ; Roland Gué ; rin ; Jean-Yves Saillard and Jean-Franç ; ois Halet
• 关键词：Boride ; Carbide ; Density functional calculations ; Electronic properties ; Silicide ; Structural arrangements
• 刊名：Journal of Solid State Chemistry
• 出版年：2006
• 出版时间：September 2006
• 年：2006
• 卷：179
• 期：9
• 页码：2779-2786
• 全文大小：482 K

文摘

Different ternary alkaline-earth and rare-earth metal boron carbide and silicide compounds are examined using the solid-state language of Zintl–Klemm concept, band structures, and density of states, in order to show that the topology of the non-metal sub-lattice is highly dependent on the electron count. It is also shown that the chemistry of rare-earth metal–boron–silicon does not parallel that of rare-earth metal–boron–carbon. B–C bonds are easily formed in the latter, leading to a large variety of different structural arrangements, whereas Si–B bonds are hardly observed in the former, except in insertion compounds.