Ideal strength of diamond, Si, and Ge

Journal Article · Mon Jun 25 00:00:00 EDT 2001 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.64.212103· OSTI ID:795358

Roundy, D ^[1]; Cohen, M L

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1. LBNL Library

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 {l_brace}111{r_brace} 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.

• Research Organization: Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, CA (US)
• Sponsoring Organization: USDOE Director, Office of Science. Office of Basic Energy Studies. Division of Materials Sciences; National Science Foundation (US)
• DOE Contract Number: AC03-76SF00098
• OSTI ID: 795358
• Report Number(s): LBNL--49836
• Journal Information: Physical Review B, Journal Name: Physical Review B Journal Issue: 21 Vol. 64
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CALCULATION METHODS
CARBON
CRYSTAL STRUCTURE
GERMANIUM
SHEAR PROPERTIES
SILICON
STRESS RELAXATION
TENSILE PROPERTIES