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Theoretical Strength and Cleavage of Diamond
Open accessAbstract
The theoretical strength of diamond has been calculated for the <100>, <110>, and <111> directions using a first principles approach and is found to be strongly dependent on crystallographic direction. This elastic anisotropy, found at large strains, and particularly the pronounced minimum in cohesion in the <111> direction, is believed to be the reason for the remarkable dominance of the 111 cleavage plane when diamond is fractured. The extra energy required to cleave a crystal on planes other than 111 is discussed with reference to simple surface energy calculations and also the introduction of bond-bending terms.
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Cites
Self-interaction correction to density-functional approximations for many-electron systems
Perdew, J. P., & Zunger, A. (1981) · Physical Review B · doi:10.1103/physrevb.23.5048 · Cited by 20,887
Cited by
Carbyne from First Principles: Chain of C Atoms, a Nanorod or a Nanorope
Liu, M., Artyukhov, V. I., Lee, H., Xu, F., & Yakobson, B. I. (2013) · ACS Nano · doi:10.1021/nn404177r · Cited by 451
Ultralarge elastic deformation of nanoscale diamond
Banerjee, A., Bernoulli, D., Zhang, H., Yuen, M.-F., Liu, J., Dong, J., Ding, F., Lu, J., Dao, M., Zhang, W., et al. (2018) · Science · doi:10.1126/science.aar4165 · Cited by 346
Ideal strength of diamond, Si, and Ge
Roundy, D., & Cohen, M. L. (2001) · Physical Review B · doi:10.1103/physrevb.64.212103 · Cited by 326
Metadata
- Authors
- Telling, R. H., Pickard, C. J., Payne, M. C., & Field, J. E.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2000-05-29
- Volume
- 84
- Issue
- 22
- Pages
- 5160-5163
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2056090730
- Cited by
- 333
- References
- 1
- FWCI
- 3.11
- Type
- journal article
- Language
- en
- Open access
- bronze
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- Telling, R. H., Pickard, C. J., Payne, M. C., & Field, J. E. (2000). Theoretical Strength and Cleavage of Diamond. Physical Review Letters. https://doi.org/10.1103/physrevlett.84.5160
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
