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    First-principles study of the lattice dynamics of Sb2S3 by Liu, Yun, Eddie Chua, Kun Ting, Sum, Tze Chien, Gan, Chee Kwan

    Published 2014
    “…The effect of Born effective charges is taken into account using a mixed-space approach, resulting in the splitting of longitudinal and transverse optical (LO-TO) phonon branches near the zone center. Zone-center frequencies agree well with Raman scattering experiments. …”
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    Journal Article
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