Effect of structural randomness on the frontier states of polysilane

Kyozaburo Takeda, Nobuo Matsumoto

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

The effect of simple structural randomness, such as stretching branching and surrounding, on the electronic structure of polysilane is investigated using molecular orbital calculation. The frontier orbital (HOMO and LUMO) states consist mainly of skeleton Si. The fluctuation in the frontier orbital states due to such randomness are found to be quite small. Moreover, tailing of the resulting gap states into the energy gap is negligible.

Original languageEnglish
Pages (from-to)6121-6133
Number of pages13
JournalJournal of Physics C: Solid State Physics
Volume18
Issue number33
DOIs
Publication statusPublished - 1985 Nov 30
Externally publishedYes

Fingerprint

Polysilanes
polysilanes
Orbital calculations
Tailings
Molecular orbitals
Stretching
Electronic structure
Energy gap
orbitals
musculoskeletal system
molecular orbitals
electronic structure

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Condensed Matter Physics

Cite this

Effect of structural randomness on the frontier states of polysilane. / Takeda, Kyozaburo; Matsumoto, Nobuo.

In: Journal of Physics C: Solid State Physics, Vol. 18, No. 33, 30.11.1985, p. 6121-6133.

Research output: Contribution to journalArticle

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