Ga_(1-x)Al_xAs
PHONON
M.Sternik, P.T.Jochym and Parlinski,
Lattice dynamics of Ga_(1-x)Al_xAs studied by
ab initio calculations,
Comput.Materials Science 13 232 (1999).
Crystal: Galium arsenide GaAs,
Other crystal: AlAs, Al_3GaAs_4, AlGa_3AS_4,
Software: Ab initio Castep of MSI ver. 3.8
Space group: average cubic, F-43m, (Z=1)
Lattice constants: a=5.65 angst.
Supercell: 2x2x2.
Pseudopotentials: high-precision of Castep
k-points: 1x1x1.
Phonon dispersion relations of GaAs:
Experimental data:
[1] D.Strauch, B.Dorner, J.Phys.Condens.Matter 2, 1457 (1990).
[2] B.Monemar, Phys.Rev. B 8 5711 (1973).
See:
