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APS » Journals » Phys. Rev. Lett. » Volume 37 » Issue 22
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Phys. Rev. Lett. 37, 1504–1507 (1976)

Valence-Alternation Model for Localized Gap States in Lone-Pair Semiconductors

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Marc Kastner* and David Adler†
Center for Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139

H. Fritzsche
Department of Physics and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637

Received 13 May 1976; published in the issue dated 29 November 1976

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.

© 1976 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.37.1504
DOI:
10.1103/PhysRevLett.37.1504
PACS:

*Also Department of Physics.

†Also Department of Electrical Engineering and Computer Science.

 
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