Effect of Mn doping on the electronic structure of ZnGa2O4 with Spinel-type structure

Moriyasu Nonaka; Takumi Tanizaki; Shigenori Matsushima; Masataka Mizuno; Chao Nan Xu

doi:10.1246/cl.2001.664

Effect of Mn doping on the electronic structure of ZnGa₂O₄ with Spinel-type structure

Moriyasu Nonaka, Takumi Tanizaki, Shigenori Matsushima, Masataka Mizuno, Chao Nan Xu

資源システム工学

研究成果: ジャーナルへの寄稿 › 学術誌 › 査読

2 被引用数 (Scopus)

抄録

The electronic structures of ZnGa₂O₄ and ZnGa₂O₄:Mn are calculated by the discrete variational Xα method on model clusters. For ZnGa₂O₄, it is found that Zn-O and Ga-O bondings are not perfectly ionic but partially covalent. When a central Zn atom of the cluster is replaced with a Mn atom, the new energy states originating from Mn 3d orbitals appear in the energy gap. The energy levels of t₂ up-spin states and e down-spin states seem to relate to the green emission.

本文言語	英語
ページ（範囲）	664-665
ページ数	2
ジャーナル	Chemistry Letters
号	7
DOI	https://doi.org/10.1246/cl.2001.664
出版ステータス	出版済み - 2001

!!!All Science Journal Classification (ASJC) codes

化学 (全般)

文献へのアクセス

10.1246/cl.2001.664

他のファイルとリンク

引用スタイル

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abstract = "The electronic structures of ZnGa2O4 and ZnGa2O4:Mn are calculated by the discrete variational Xα method on model clusters. For ZnGa2O4, it is found that Zn-O and Ga-O bondings are not perfectly ionic but partially covalent. When a central Zn atom of the cluster is replaced with a Mn atom, the new energy states originating from Mn 3d orbitals appear in the energy gap. The energy levels of t2 up-spin states and e down-spin states seem to relate to the green emission.",

author = "Moriyasu Nonaka and Takumi Tanizaki and Shigenori Matsushima and Masataka Mizuno and Xu, {Chao Nan}",

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AU - Nonaka, Moriyasu

AU - Tanizaki, Takumi

AU - Matsushima, Shigenori

AU - Mizuno, Masataka

AU - Xu, Chao Nan

PY - 2001

Y1 - 2001

N2 - The electronic structures of ZnGa2O4 and ZnGa2O4:Mn are calculated by the discrete variational Xα method on model clusters. For ZnGa2O4, it is found that Zn-O and Ga-O bondings are not perfectly ionic but partially covalent. When a central Zn atom of the cluster is replaced with a Mn atom, the new energy states originating from Mn 3d orbitals appear in the energy gap. The energy levels of t2 up-spin states and e down-spin states seem to relate to the green emission.

AB - The electronic structures of ZnGa2O4 and ZnGa2O4:Mn are calculated by the discrete variational Xα method on model clusters. For ZnGa2O4, it is found that Zn-O and Ga-O bondings are not perfectly ionic but partially covalent. When a central Zn atom of the cluster is replaced with a Mn atom, the new energy states originating from Mn 3d orbitals appear in the energy gap. The energy levels of t2 up-spin states and e down-spin states seem to relate to the green emission.

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