First-principles calculation of lattice dynamics and electron-phonon interaction in high pressure phase of solid iodine

N. Suzuki, H. Sakamoto, T. Oda, M. Shirai

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Frozen-phonon calculations based on the full-potential linearized augmented-plane-wave method are performed for the X-point phonon modes of the high-pressure FCC phase of solid iodine which becomes a superconductor at T ∼ 1 K. The longitudinal and the transverse phonon frequencies have been evaluated to be ωL=231 cm-1 and ωT=159 cm-1, respectively, at 45 GPa. The phonon frequencies increase with increasing pressure. For example, we have obtained ωL=260 cm-1 and ωT=179 cm-1 at 64 GPa. The electron-phonon interaction is evaluated microscopically on the basis of the tight-binding scheme and then the phonon frequencies are calculated in the whole Brillouin zone by introducing appropriate short-range force constants. The results obtained are discussed in connection with pressure effects on superconductivity of FCC iodine.

Original languageEnglish
Pages (from-to)454-456
Number of pages3
JournalPhysica B: Condensed Matter
Volume219-220
Issue number1-4
DOIs
Publication statusPublished - 1996 Apr 1
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Electrical and Electronic Engineering

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