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Título
Lattice dynamics and phase stability of rhombohedral antimony under high pressure
Autor
Año del Documento
2019
Editorial
American Physical Society
Documento Fuente
Phys. Rev. B 100, 104305 (2019)
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.
Revisión por pares
SI
Patrocinador
NSF
DOE
Texas Advances Computer Center
DOE
Texas Advances Computer Center
Idioma
eng
Tipo de versión
info:eu-repo/semantics/publishedVersion
Derechos
openAccess
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