Abstract
Self-consistent calculations of the electronic structure of Co and Ni give insight into the nature of the bonding and suggest an explanation of the unique structure of these two compounds. A quasigap separates bonding and antibonding states. For Co and Ni, falls in or near the quasigap. The Si atoms exhibit hybridization, absent in many other silicides. Ionicity is negligible. Bonding is well described by a directed valence-orbital picture, except for free-electron (interstitial) character at higher energies.
- Received 25 April 1983
DOI:https://doi.org/10.1103/PhysRevB.28.1168
©1983 American Physical Society