FeBO_3
PHONON
K.Parlinski, J.Lazewski, P.T.Jochym, A.Chumakov, R.Rueffer and G.Kresse,
Influence of magnetic interaction on lattice dynamics of
FeBO_3,
Europhys.Lett, 56, October 15 (2001).
Crystal: Iron borate FeBO_3
Software: Ab initio VASP ver. 4.4.4.
Space group: rhombohedral, R-3c (Z=2)
Lattice constants: a=5.5415 angst, alpha = 49.3452 deg.
Supercell: 2x2x1.
Pseudopotentials: ultrasoft of Vanderbilt.
k-point: 1x1x1.
Partial phonon density of states of iron of rhombohedral iron borate FeBO_3:
Points comes from the
nuclear inelastic absorption spectroscopy measurements.
Two scattering geometries have been used.
See:
