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アイテム
Energy band structure of LaCuOCh (Ch=S, Se and Te) calculated by FLAPW method
http://hdl.handle.net/10228/365
http://hdl.handle.net/10228/3652823167d-7b85-41e8-b8aa-1ce98a19134c
| 名前 / ファイル | ライセンス | アクション |
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JPCM.pdf (664.2 kB)
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| アイテムタイプ | 学術雑誌論文 = Journal Article(1) | |||||||||||||
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| 公開日 | 2007-11-20 | |||||||||||||
| 資源タイプ | ||||||||||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||||||||||
| 資源タイプ | journal article | |||||||||||||
| タイトル | ||||||||||||||
| タイトル | Energy band structure of LaCuOCh (Ch=S, Se and Te) calculated by FLAPW method | |||||||||||||
| 言語 | ||||||||||||||
| 言語 | eng | |||||||||||||
| 著者 |
植田, 和茂
× 植田, 和茂
WEKO
579
× Hosono, Hideo× Hamada, Noriaki |
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| 抄録 | ||||||||||||||
| 内容記述タイプ | Abstract | |||||||||||||
| 内容記述 | Energy band diagrams of LaCuOCh (Ch=S, Se and Te) were calculated by afull-potential linearized augmented plain-wave method. The calculations based on localdensity approximation with/without an on-site Coulomb repulsion parameter wereattempted to examine the energy levels of La 4f states. The results of the calculationsshowed that the on-site correlation parameter is necessary to evaluate the energy levelsof La 4f states appropriately. The calculations for LaCuOCh with the on-site correlationparameter revealed that LaCuOS and LaCuOSe have almost the same energy bandstructure with a direct-allowed-type band gap, while LaCuOTe has significantlydifferent conduction band structure that exhibits an indirect-type band gap. Thisdifference in the electronic structure between LaCuOCh (Ch=S, Se and Te) is consistentwith the observed optical properties of these materials. | |||||||||||||
| 書誌情報 |
Journal of Physics: Condensed Matter 巻 16, p. 5179-5186, 発行日 2004-07-02 |
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| 出版社 | ||||||||||||||
| 出版者 | IOP Publishing | |||||||||||||
| DOI | ||||||||||||||
| 関連タイプ | isVersionOf | |||||||||||||
| 識別子タイプ | DOI | |||||||||||||
| 関連識別子 | https://doi.org/10.1088/0953-8984/16/28/036 | |||||||||||||
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| 収録物識別子タイプ | ISSN | |||||||||||||
| 収録物識別子 | 0953-8984 | |||||||||||||
| 著作権関連情報 | ||||||||||||||
| 権利情報 | Copyright (c) 2004 IOP Publishing Ltd | |||||||||||||
| 出版タイプ | ||||||||||||||
| 出版タイプ | AM | |||||||||||||
| 出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||||||||||
| 査読の有無 | ||||||||||||||
| 値 | yes | |||||||||||||
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| 識別子タイプ | URI | |||||||||||||
| 関連識別子 | http://www.iop.org/ | |||||||||||||
| 関連名称 | http://www.iop.org/ | |||||||||||||
