Role of vibronic interactions in the electronic properties of a silicon cluster, (SiH)8

Takashi Kato, Kazunari Yoshizawa, Tokio Yamabe

研究成果: ジャーナルへの寄稿記事

13 引用 (Scopus)

抄録

The optical properties of octasilacubane (SiH)8 with Oh symmetry is investigated based on the role of vibronic interactions. An electron of t2u highest occupied molecular orbital (HOMO) jumps to t2g lowest unoccupied molecular orbital (LUMO)+2 for transition to occur. Density-functional theory calculations give detail about frontier orbitals coupling to molecular vibrations of silicon cluster.

元の言語英語
ページ(範囲)2188-2198
ページ数11
ジャーナルJournal of Chemical Physics
113
発行部数6
DOI
出版物ステータス出版済み - 8 1 2000
外部発表Yes

Fingerprint

Molecular orbitals
Silicon
Electronic properties
molecular orbitals
Molecular vibrations
silicon
electronics
Density functional theory
Optical properties
interactions
density functional theory
optical properties
orbitals
vibration
Electrons
symmetry
electrons

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

これを引用

Role of vibronic interactions in the electronic properties of a silicon cluster, (SiH)8. / Kato, Takashi; Yoshizawa, Kazunari; Yamabe, Tokio.

:: Journal of Chemical Physics, 巻 113, 番号 6, 01.08.2000, p. 2188-2198.

研究成果: ジャーナルへの寄稿記事

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