The atomic structure of icosahedral B4C 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.

Atomic structure and vibrational properties of icosahedral B4C boron carbide / Lazzari, R.; Vast, N.; Besson, J. M.; Baroni, S.; Dal Corso, A.. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - 83:16(1999), pp. 3230-3233. [10.1103/PhysRevLett.83.3230]

Atomic structure and vibrational properties of icosahedral B4C boron carbide

Baroni, S.;Dal Corso, A.
1999-01-01

Abstract

The atomic structure of icosahedral B4C 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.
1999
83
16
3230
3233
http://link.aps.org/doi/10.1103/PhysRevLett.83.3230
https://arxiv.org/abs/cond-mat/9909182
Lazzari, R.; Vast, N.; Besson, J. M.; Baroni, S.; Dal Corso, A.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.11767/13433
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