Abstract
Structural defects in glassy are classified and labeled according to the constituent like-atom bonds and malcoordinated atoms. A selection rule is formulated to reduce the number of allowed Fermi-level pinning reactions. An elementary Bethe-lattice model is introduced as a starting point for a discussion of the electronic structure of simple defects. The defect states are found to be very different from those in Se; deep gap states arise in because of unique bond orbitals, whereas they occur in Se due to unique interactions between orbitals. Malcoordinated Se atoms are expected to give rise to hydrogenic levels in , in contrast to Se. Surprisingly, the undercoordinated pnictide defects are positively charged in this model. Finally, defect creation energies and densities at are discussed.
- Received 30 July 1980
DOI:https://doi.org/10.1103/PhysRevB.23.2596
©1981 American Physical Society