Akdoğan, MustafaEryiğit, Resul2021-06-232021-06-2320020953-8984https://doi.org/10.1088/0953-8984/14/32/309https://hdl.handle.net/20.500.12491/5402We have performed a first-principles study of structural, dynamical and dielectric properties of chalcopyrite semiconductor CuGaS2.(.) The calculations have been carried out within the local density functional approximation using norm-conserving pseudopotentials and a plane-wave basis. Born effective charge tensors, dielectric permittivity tensors, the phonon frequencies at the Brillouin zone centre and mode oscillator strengths are calculated using density functional perturbation theory. The calculated properties help resolve the source of some of the discrepancies in the experimental literature.eninfo:eu-repo/semantics/closedAccessChalcopyrite Semiconductor CuGaS2Article10.1088/0953-8984/14/32/3091432749375022-s2.0-0037136334Q2WOS:000177800100011Q1