Structural impact on the eigenenergy renormalization for carbon and silicon allotropes and boron nitride polymorphs
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DOI: 10.1103/physrevb.97.205104
Abstract: The phonon-induced renormalization of electronic band structures is investigated through first-principles calculations based on the density functional perturbation theory for nine materials with various crystal symmetries. Our results demonstrate that the magnitude of the zero-point… read more here.
Keywords: eigenenergy renormalization; boron nitride; renormalization; phonon ... See more keywords