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Atomic Structure and Vibrational Properties of IcosahedralB4CBoron Carbide
Open accessAbstract
The atomic structure of icosahedral ${\mathrm{B}}_{4}\mathrm{C}$ boron carbide is determined by comparing existing infrared absorption and Raman diffusion measurements with the predictions of accurate ab initio lattice-dynamical calculations performed for different structural models, a task presently beyond x-ray and neutron diffraction ability. By examining the inter- and intraicosahedral contributions to the stiffness we show that, contrary to recent conjectures, intraicosahedral bonds are harder.
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Cited by
Double Aromaticity in Monocyclic Carbon, Boron, and Borocarbon Rings Based on Magnetic Criteria
Wodrich, M. D., Corminboeuf, C., Park, S. S., & Schleyer, P. V. R. (2007) · Chemistry - A European Journal · doi:10.1002/chem.200700154 · Cited by 71
Structural and Bonding Trends among the B 7 C 1 1- ,B 6 C 2 , and B 5 C 3 1+
(2005) · Bulletin of the Korean Chemical Society · doi:10.5012/bkcs.2005.26.1.063 · Cited by 15
Metadata
- Authors
- Lazzari, R., Vast, N., Besson, J. M., Baroni, S., & Dal Corso, A.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1999-10-18
- Volume
- 83
- Issue
- 16
- Pages
- 3230-3233
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2047619773
- Cited by
- 312
- References
- 0
- FWCI
- 6.00
- Type
- journal article
- Language
- en
- Open access
- green
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- Lazzari, R., Vast, N., Besson, J. M., Baroni, S., & Dal Corso, A. (1999). Atomic Structure and Vibrational Properties of IcosahedralB4CBoron Carbide. Physical Review Letters. https://doi.org/10.1103/physrevlett.83.3230
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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