Ozolins and Zunger [Phys. Rev. B 57, R9404 (1998)] performed an ab initio calculation of the optical modes of CuPt ordered GaInP2. We show that their assignment of the phonon modes presents a fundamental incoherence. © 2001 The American Physical Society.
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - 6 Feb 2001|