Logo of Phonon c-BN

Lattice dynamics of cubic BN
J.Alloys & Compounds, 328, 97 (2001).

Crystal: Boron nitrate BN
Software: Ab initio VASP ver. 4.3.3.
Space group: cubic, F-43m (Z=1)
Lattice constants: a=3.620 angst.
Supercell: 2x2x2.
Pseudopotentials: ultrasoft of Vanderbilt.
k-points: 2x2x2. phase transition.

Phonon dispersion relations of cubic boron nitrate BN:

Squares comes from elongated (1x1x10) supercell calculations, and demonstrate the LO/TO splitting.

Phonon Dispersion Curves of cubic BN