Lattice dynamics and phase stability of rhombohedral antimony under high pressure


Abstract:

The high pressure lattice dynamics of rhombohedral antimony have been studied by a combination of diffuse scattering and inelastic x-ray scattering. The evolution of the phonon behavior as a function of pressure was analyzed by means of two theoretical approaches: density functional perturbation theory and symmetry-based phenomenological phase transition analysis. This paper focuses on the first structural phase transition, SbI-SbIV, and the role of vibrations in leading the transition. The phonon dispersion exhibits complex behavior as one approaches the structural transition, with the branches, corresponding to the two transitions happening at high pressure in the Va elements (A7-to-BCC and A7-to-PC) both showing softening.

Año de publicación:

2019

Keywords:

    Fuente:

    scopusscopus

    Tipo de documento:

    Article

    Estado:

    Acceso restringido

    Áreas de conocimiento:

    • Ciencia de materiales
    • Ciencia de materiales

    Áreas temáticas:

    • Cristalografía
    • Química inorgánica
    • Ingeniería y operaciones afines