Abstract
The lattice vibrational properties of ${\mathrm{CuInSe}}_{2}$ with CuAu-type ordering of the cation sublattice are investigated theoretically by a first-principles calculations of the structure and the lattice dynamical characteristics including zone-center optical mode frequencies, phonon dispersion and density of states, and elastic constants. The results obtained for CuAu-ordered ${\mathrm{CuInSe}}_{2}$ are compared with related experimental data and comparative theoretical calculations for the chalcopyrite phase of the compound. A critical analysis is given of the partly contradictory experimental lattice vibration data reported for chalcopyrite ${\mathrm{CuInSe}}_{2}.$
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