Ab initio calculations of boron and its carbides
- 1 January 1991
- proceedings article
- Published by AIP Publishing in AIP Conference Proceedings
- Vol. 231 (1) , 13-20
- https://doi.org/10.1063/1.40861
Abstract
We discuss the energy bands, lattice constants, atomic positions, charge density contours, cohesive energies, formation enthalpies, and free energies of B12C3, B13C2, and B12 obtained from ab initio self‐consistent pseudopotential calculations.Keywords
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