First-principles calculation of the elastic constants of AlAs
Journal Article
·
· Physical Review (Section) B: Condensed Matter; (USA)
- University of Illinois, Department of Physics, 1110 West Green Street, Urbana, Illinois 61801 (US)
We use an {ital ab} {ital initio} pseudopotential method within the local-density approximation to determine the full set of elastic moduli of AlAs which have not been directly established experimentally. We find {ital C}{sub 11}=1.16, {ital C}{sub 12}=0.55, and {ital C}{sub 44}=0.57 Mbar, close to those known for GaAs. Since similar calculations for GaAs and other materials produce results in close agreement with experiment, we conclude that our results for AlAs are also reliable.
- OSTI ID:
- 7072359
- Journal Information:
- Physical Review (Section) B: Condensed Matter; (USA), Journal Name: Physical Review (Section) B: Condensed Matter; (USA) Vol. 40:17; ISSN PRBMD; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
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