Valence-Alternation Model for Localized Gap States in Lone-Pair Semiconductors
M. A. KastnerCenter for Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139David AdlerCenter for Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139H. FritzscheCenter for Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139
1976en
ABI
Аннотация
A model is presented for the structure and properties of active centers in lone-pair semiconductors, based on the possibility of unique bonding configurations which can arise from the presence of nonbonding orbitals. It is shown that the lowest-energy neutral center is unstable towards the creation of different positively and negatively charged centers, thus resulting in a negative effective correlation energy. These centers yield gap states which explain the unusual properties of lone-pair semiconductors.
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