First-principles calculation of the elastic constants of AlAs

descriptionPublicationkeyboard_double_arrow_right Article 15 Dec 1989 English Publisher:American Physical Society (APS)Journal:Physical Review B, volume 40, pages 11,934-11,936 (issn: 0163-1829,

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Authors: , Chetty; , Muoz; , Martin;

doi: 10.1103/physrevb.40.11934

pmid: 9991803

First-principles calculation of the elastic constants of AlAs

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Abstract

We use an ab 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 ${C}_{11}$=1.16, ${C}_{12}$=0.55, and ${C}_{44}$=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.

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University of Illinois at Urbana–Champaign
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University of Illinois System
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