Local electronic and atomic structure of Ce[3+]-containing fluoride/oxide determined by TEM-EELS and first-principles calculations
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- Nishida Ikuo
- Department of Materials, Physics and Energy Engineering, Nagoya University
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- Tatsumi Kazuyoshi
- Department of Materials, Physics and Energy Engineering, Nagoya University
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- Muto Shunsuke
- Department of Materials, Physics and Energy Engineering, Nagoya University
書誌事項
- タイトル別名
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- Local Electronic and Atomic Structure of Ce<SUP>3+</SUP>-Containing Fluoride/Oxide Determined by TEM-EELS and First-Principles Calculations
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We investigated the local atomic and electronic structure around Ce in CeF3 and Ce2O3 by the combination analysis of F- and O-K shell electron energy loss near edge structures (ELNES) and first-principles calculations. The energy width of the main edge structure depended on the interaction between Ce5d orbitals and the neighboring F/O atoms. Not only ELNES but also the reported emission and excitation spectra were qualitatively consistent with the electronic structures of density functional theory (DFT) calculations with Hubbard U for the Ce4f energy correction. Main factors determining the emission wavelength of the fluoride and Ce-doped oxides were discussed.
収録刊行物
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- MATERIALS TRANSACTIONS
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MATERIALS TRANSACTIONS 50 (5), 952-958, 2009
公益社団法人 日本金属学会
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詳細情報 詳細情報について
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- CRID
- 1390001204249392768
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- NII論文ID
- 10024814183
- 130004454243
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- NII書誌ID
- AA1151294X
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- ISSN
- 13475320
- 13459678
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- NDL書誌ID
- 10213932
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- 本文言語コード
- en
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- データソース種別
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- JaLC
- NDL
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