Energy-band structure of chainlike polysilane (SiH2)n alloys

Kyozaburo Takeda, Nobuo Matsumoto, Mitsuru Fukuchi

Research output: Contribution to journalArticle

68 Citations (Scopus)

Abstract

The energy-band structure for ideal polysilane (SiH2)n is calculated using the Slater-Koster linear combination of atomic orbitals (LCAO) method. The interatomic matrix elements are estimated by using Harrison's approximate representation. From the calculated band structure we deduce that chainlike polysilane is a semiconductor having a wide direct band gap and that optical transitions are allowed. This is consistent with the experimental results showing a wide optical gap and highly efficient luminescence in novel Si: H alloys, consisting of many polysilane chain segments.

Original languageEnglish
Pages (from-to)5871-5876
Number of pages6
JournalPhysical Review B
Volume30
Issue number10
DOIs
Publication statusPublished - 1984
Externally publishedYes

Fingerprint

Polysilanes
polysilanes
Band structure
energy bands
Optical transitions
optical transition
Luminescence
Energy gap
luminescence
Semiconductor materials
orbitals
matrices

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Energy-band structure of chainlike polysilane (SiH2)n alloys. / Takeda, Kyozaburo; Matsumoto, Nobuo; Fukuchi, Mitsuru.

In: Physical Review B, Vol. 30, No. 10, 1984, p. 5871-5876.

Research output: Contribution to journalArticle

Takeda, Kyozaburo ; Matsumoto, Nobuo ; Fukuchi, Mitsuru. / Energy-band structure of chainlike polysilane (SiH2)n alloys. In: Physical Review B. 1984 ; Vol. 30, No. 10. pp. 5871-5876.
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