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  • Phonon self-energy and orig...
    Li, C W; Hellman, O; Ma, J; May, A F; Cao, H B; Chen, X; Christianson, A D; Ehlers, G; Singh, D J; Sales, B C; Delaire, O

    Physical review letters, 2014-May-02, Letnik: 112, Številka: 17
    Journal Article

    The anharmonic lattice dynamics of rock-salt thermoelectric compounds SnTe and PbTe are investigated with inelastic neutron scattering (INS) and first-principles calculations. The experiments show that, surprisingly, although SnTe is closer to the ferroelectric instability, phonon spectra in PbTe exhibit a more anharmonic character. This behavior is reproduced in first-principles calculations of the temperature-dependent phonon self-energy. Our simulations reveal how the nesting of phonon dispersions induces prominent features in the self-energy, which account for the measured INS spectra and their temperature dependence. We establish that the phase space for three-phonon scattering processes, combined with the proximity to the lattice instability, is the mechanism determining the complex spectrum of the transverse-optic ferroelectric mode.