Elasticity and mechanical instabilities of diamond at megabar stresses: Implications for diamond-anvil-cell research

We present first-principles calculations of the stress–strain curves for diamond under nonhydrostatic tetragonal compression, in the regime of operation of diamond-anvil cells (DACs). We provide a parametrization of the stress components as a function of strain, which is potentially useful for the c...

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Bibliographic Details
Published in:Applied physics letters 1999-07, Vol.75 (4), p.487-488
Main Authors: Zhao, Ji-Jun, Scandolo, S., Kohanoff, J., Chiarotti, G. L., Tosatti, E.
Format: Article
Language:English
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Summary:We present first-principles calculations of the stress–strain curves for diamond under nonhydrostatic tetragonal compression, in the regime of operation of diamond-anvil cells (DACs). We provide a parametrization of the stress components as a function of strain, which is potentially useful for the controlled design of DACs. A stability analysis shows that a tetragonal-shear mechanical instability sets in in diamond when σz−σr=200 GPa, where σz and σr are the axial and radial components of the stress, respectively.
ISSN:0003-6951
1077-3118
DOI:10.1063/1.124424