Abstract
The atomic structure of icosahedral 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.
- Received 19 January 1999
DOI:https://doi.org/10.1103/PhysRevLett.83.3230
©1999 American Physical Society