Fig. 5. Phonon dispersions computed for crystalline Sb2Se3 along representative high-symmetry lines. The increasing degree of dispersion upon going from the “weakly” to “strongly” bonded directions is clearly visible and reflects the anisotropy of the underlying crystal structure. Results with non-analytical term correction41 (thin dotted lines) and without this correction (pale red) are largely superimposable along Γ → X and Γ → Z, less so along Γ → Y. On the right-hand side, the computed density of phonon states (DPS) is seen.
