Electronic structure of group III elements doped into ZnO by using molecular orbital calculation

Moriyasu Nonaka, Shigenori Matsushima, Masataka Mizuno, Kenkichiro Kobayashi

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

The electronic structures of ZnO doped with group III elements (B, Al, Ga and In) are calculated by using the discrete variational Xα method of clusters. For ZnO doped with group III elements, new states originating from group III elements appear in the band gap. The depth energy of impurity-related states is the shallowest for Al and is the deepest for B.

Original languageEnglish
Pages (from-to)580-581
Number of pages2
JournalChemistry Letters
Issue number6
DOIs
Publication statusPublished - Apr 5 2002

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Orbital calculations
Molecular orbitals
Electronic structure
Energy gap
Impurities

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

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Electronic structure of group III elements doped into ZnO by using molecular orbital calculation. / Nonaka, Moriyasu; Matsushima, Shigenori; Mizuno, Masataka; Kobayashi, Kenkichiro.

In: Chemistry Letters, No. 6, 05.04.2002, p. 580-581.

Research output: Contribution to journalArticle

Nonaka, Moriyasu ; Matsushima, Shigenori ; Mizuno, Masataka ; Kobayashi, Kenkichiro. / Electronic structure of group III elements doped into ZnO by using molecular orbital calculation. In: Chemistry Letters. 2002 ; No. 6. pp. 580-581.
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