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Electronic structure of barium hexaboride

✍ Scribed by S. Massidda; R. Monnier; E. Stoll


Publisher
Springer
Year
2000
Tongue
English
Weight
186 KB
Volume
17
Category
Article
ISSN
1434-6036

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Compounds of the fom Ba&,with x= 3 and 6 resulting from the reaction of Cm with Ba have been prepared and characterized by photoemission. For x= 3 the t,, band derived from the LUMO of Cs,, is filled, resulting in an electronic structure similar to that of&&, Upon further exposure to Ba, the t,, ban

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✍ H. Ripplinger; K. Schwarz; P. Blaha πŸ“‚ Article πŸ“… 1997 πŸ› Elsevier Science 🌐 English βš– 281 KB

The electronic structures of several CaB 6 -type hexaborides and boron carbide, B 4 C, are studied by the full-potential linearized-augmented plane-wave (LAPW) method within density functional theory. The hexaborides contain inter-and intraoctahedral boron-boron bonds, which under pressure decrease