CuInS_2
PHONON
J.Lazewski P.T.Jochym and K.Parlinski
Band structure, Born effective charges, and lattice dynamics of CuInSe_2,
J.Chem.Phys., 117, 2726 (2002).
Crystal: Chalcopiryte CuInS_2
Software: Ab initio Vasp
Space group: tetragonal, I-42d (D_2d^12) (Z=2)
Lattice constants: a=5.60, c=11.19 angst.
Supercell: 1x1x1.
Pseudopotentials: soft Vanderbilt
k-points: 1x1x1 (gamma).
LO/TO splitting from Born effective charges.
Calculated phonon dispersion relations of CuInS_2
See:
