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Phonons in Chalcopyrite Crystals within the Force Field Approach
Author(s) -
Łażewski J.,
Parlinski K.
Publication year - 2000
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/1521-3951(200004)218:2<411::aid-pssb411>3.0.co;2-d
Subject(s) - phonon , chalcopyrite , condensed matter physics , inelastic neutron scattering , force constant , materials science , lattice (music) , dispersion (optics) , inelastic scattering , scattering , physics , optics , quantum mechanics , copper , molecule , acoustics , metallurgy
The lattice dynamics of chalcopyrite crystals AgGaS 2 , AgGaSe 2 , AgGaTe 2 , CdGeAs 2 and CdGeP 2 have been studied within the force field approach. The lattice constants are derived from minimization of the unit cell potential and they agree within 1.5% with the experimental ones. The calculated interatomic forces were used by the direct method, which allowed to find the phonon dispersion curves and phonon density of states for these crystals. The calculated phonon frequencies for AgGaSe 2 fit quite well to the inelastic neutron scattering data.