Microscopic Theory of the Structural Stability of-BondedCompounds
- 10 September 1984
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 53 (11) , 1080-1083
- https://doi.org/10.1103/physrevlett.53.1080
Abstract
The relative stability of the seven most common crystal structures of the -bonded compounds is examined within a tight-binding model which allows the influence of atomic size, and energy-level separation, and band filling to be studied directly. The simple theory, which neglects the valence electrons, accounts qualitatively for the observed domains of NaCl, CsCl, NiAs, MnP, and boride stability, only the narrow FeSi domain remaining unaccounted for.
Keywords
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