Structural Refinement and Thermal Expansion of Hexaborides.
β Scribed by Chun-Hua Chen; Takashi Aizawa; Nobuo Iyi; Akira Sato; Shigeki Otani
- Publisher
- John Wiley and Sons
- Year
- 2004
- Weight
- 53 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0931-7597
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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