Ideal strength of diamond, Si, and Ge

David Roundy and Marvin L. Cohen
Phys. Rev. B 64, 212103 – Published 12 November 2001
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Abstract

We have calculated the ideal shear strength and ideal tensile strength of C, Si, and Ge in the diamond structure. We find ideal shear strengths of 95 GPa, 6.5 GPa, and 4.5 GPa, and ideal tensile strengths of 95 GPa, 23 GPa, and 14 GPa for C, Si and Ge respectively. The shear calculation is performed on the {111} slip plane sheared in a 112 direction, and the tensile load is applied in the 111 direction. We allowed for a full relaxation of the strains orthogonal to the applied strain as well as the atomic basis vectors.

  • Received 3 July 2001

DOI:https://doi.org/10.1103/PhysRevB.64.212103

©2001 American Physical Society

Authors & Affiliations

David Roundy and Marvin L. Cohen

  • Department of Physics, University of California at Berkeley, Berkeley, California 94720
  • Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720

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Issue

Vol. 64, Iss. 21 — 1 December 2001

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