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Phys. Rev. B 30, 6217–6220 (1984)

Bond lengths around isovalent impurities and in semiconductor solid solutions

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José Luís Martins and Alex Zunger
Solar Energy Research Institute, Golden, Colorado 80401

Received 11 June 1984; published in the issue dated 15 November 1984

Using a valence force field, we predict the symmetric lattice distortions around isovalent impurities in 64 semiconductor-impurity systems. For the five systems for which extended x-ray absorption fine-structure (EXAFS) data are available, the results are in excellent agreement with experiment. Our theory also explains quantitatively, without adjustable parameters, the observed bond-length variations in solid solutions A1-xBxC of semiconductor alloys, as well as their excess enthalpies of mixing.

© 1984 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.30.6217
DOI:
10.1103/PhysRevB.30.6217
PACS: