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

Moriyasu Nonaka; Shigenori Matsushima; Masataka Mizuno; Kenkichiro Kobayashi

doi:10.1246/cl.2002.580

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

Moriyasu Nonaka, Shigenori Matsushima, Masataka Mizuno, Kenkichiro Kobayashi

Earth Resources Engineering

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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 language	English
Pages (from-to)	580-581
Number of pages	2
Journal	Chemistry Letters
Issue number	6
DOIs	https://doi.org/10.1246/cl.2002.580
Publication status	Published - Apr 5 2002

All Science Journal Classification (ASJC) codes

Chemistry(all)

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10.1246/cl.2002.580

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title = "Electronic structure of group III elements doped into ZnO by using molecular orbital calculation",

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.",

author = "Moriyasu Nonaka and Shigenori Matsushima and Masataka Mizuno and Kenkichiro Kobayashi",

year = "2002",

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doi = "10.1246/cl.2002.580",

language = "English",

pages = "580--581",

journal = "Chemistry Letters",

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publisher = "The Chemical Society of Japan",

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T1 - Electronic structure of group III elements doped into ZnO by using molecular orbital calculation

AU - Nonaka, Moriyasu

AU - Matsushima, Shigenori

AU - Mizuno, Masataka

AU - Kobayashi, Kenkichiro

PY - 2002/4/5

Y1 - 2002/4/5

N2 - 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.

AB - 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.

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U2 - 10.1246/cl.2002.580

DO - 10.1246/cl.2002.580

M3 - Article

AN - SCOPUS:0036335591

SN - 0366-7022

SP - 580

EP - 581

JO - Chemistry Letters

JF - Chemistry Letters

IS - 6

ER -

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

Abstract

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