𝔖 Bobbio Scriptorium
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Electronic structure and molecular topology of boron and aluminum suboxides

✍ Scribed by Roger L. Dekock; Michael R. Barbachyn


Book ID
118910627
Publisher
Elsevier Science
Year
1981
Weight
231 KB
Volume
43
Category
Article
ISSN
0022-1902

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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