The DOI matches its Crossref record; 16 of the 16 references it cites were found in a registry or an index.
Superhard Monoclinic Polymorph of Carbon
Abstract
We report a novel phase of carbon possessing a monoclinic C2/m structure (8 atoms/cell) identified using an ab initio evolutionary structural search. This polymorph, which we call M-carbon, is related to the (2x1) reconstruction of the (111) surface of diamond and can also be viewed as a distorted (through sliding and buckling of the sheets) form of graphite. It is stable over cold-compressed graphite above 13.4 GPa. The simulated x-ray diffraction pattern and near K-edge spectroscopy are in satisfactory agreement with the experimental data [W. L. Mao, Science 302, 425 (2003)10.1126/science.1089713] on overcompressed graphite. The hardness and bulk modulus of this new carbon polymorph are calculated to be 83.1 and 431.2 GPa, respectively, which are comparable to those of diamond.
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Crystal structure prediction via particle-swarm optimization
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Metadata
- Authors
- Li, Q., Ma, Y., Oganov, A. R., Wang, H., Wang, H., Xu, Y., Cui, T., Mao, H.-K., & Zou, G.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2009-04-29
- Volume
- 102
- Issue
- 17
- Pages
- 175506-175506
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2117195161
- Cited by
- 584
- References
- 16
- FWCI
- 18.98
- Type
- journal article
- Language
- en
- Open access
- closed
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- Li, Q., Ma, Y., Oganov, A. R., Wang, H., Wang, H., Xu, Y., Cui, T., Mao, H.-K., & Zou, G. (2009). Superhard Monoclinic Polymorph of Carbon. Physical Review Letters. https://doi.org/10.1103/physrevlett.102.175506
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