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Electronic structure of divalent hexaborides

✍ Scribed by S. Massidda; A. Continenza; T. M. de Pascale; R. Monnier


Publisher
Springer
Year
1996
Tongue
English
Weight
471 KB
Volume
102
Category
Article
ISSN
1434-6036

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Electronic Structure Calculations of Hex
✍ 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