摘要
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-Gamma, Gamma-M, M-X, and X-Gamma. The analysis of the Fermi surface strongly suggests that the observed phonon anomalies are Kohn anomalies arising from strong Fermi surface nesting.
- 出版日期2010-12