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

Takashi Kato; Kazunari Yoshizawa; Tokio Yamabe

doi:10.1063/1.482032

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

Takashi Kato, Kazunari Yoshizawa, Tokio Yamabe

Research output: Contribution to journal › Article › peer-review

13 Citations (Scopus)

Abstract

The optical properties of octasilacubane (SiH)₈ with O_h symmetry is investigated based on the role of vibronic interactions. An electron of t_2u highest occupied molecular orbital (HOMO) jumps to t_2g 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.

Original language	English
Pages (from-to)	2188-2198
Number of pages	11
Journal	Journal of Chemical Physics
Volume	113
Issue number	6
DOIs	https://doi.org/10.1063/1.482032
Publication status	Published - Aug 2000
Externally published	Yes

All Science Journal Classification (ASJC) codes

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1063/1.482032

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

abstract = "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.",

author = "Takashi Kato and Kazunari Yoshizawa and Tokio Yamabe",

year = "2000",

month = aug,

doi = "10.1063/1.482032",

language = "English",

volume = "113",

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journal = "Journal of Chemical Physics",

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AU - Kato, Takashi

AU - Yoshizawa, Kazunari

AU - Yamabe, Tokio

PY - 2000/8

Y1 - 2000/8

N2 - 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.

AB - 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.

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DO - 10.1063/1.482032

M3 - Article

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JF - Journal of Chemical Physics

SN - 0021-9606

IS - 6

ER -

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

Abstract

All Science Journal Classification (ASJC) codes

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