TiC
PHONON
P.Jochym, K.Parlinski and M.Sternik,
TiC lattice dynamics from ab initio
calculations,
Europ.Phys.J. B 10, 9 (1999).
Crystal: Titanium carbide TiC
Software: Ab initio Castep of MSI ver. 3.5
Space group: cubic, Fm-3m (O_h^5) (Z=1)
Lattice constants: a=4.3448 angst.
Supercell: 2x2x2.
Pseudopotentials: norm-conserveing.
k-points: 1x1x1.
GGA
Phonon dispersion relations of TiC:
See:
