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Strong phonon anomalies and Fermi surface nesting of simple cubic Polonium

Authors
Journal
Solid State Communications
0038-1098
Publisher
Elsevier
Publication Date
Volume
150
Identifiers
DOI: 10.1016/j.ssc.2010.10.001
Keywords
  • A. Metals
  • D. Phonons

Abstract

Abstract The unknown lattice dynamics of simple cubic Polonium is calculated using first-principles density-functional perturbation theory with pseudopotentials and a plane-wave basis set. We notice several phonon anomalies, in particular along major symmetry directions namely M – R , R – Γ , Γ – M , M – X , and X – Γ . The analysis of the Fermi surface strongly suggests that the observed phonon anomalies are Kohn anomalies arising from strong Fermi surface nesting.

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