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

研究成果: Article査読

2 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)454-456
ページ数3
ジャーナルPhysica B: Condensed Matter
219-220
1-4
DOI
出版ステータスPublished - 1996 4 1
外部発表はい

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学
  • 電子工学および電気工学

フィンガープリント

「First-principles calculation of lattice dynamics and electron-phonon interaction in high pressure phase of solid iodine」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル