不定比性セリウム酸化物におけるラマン活性の第一原理計算による解析

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Summary, etc.：: 不定比性の酸化セリウム（CeO<sub>1.875</sub>）のラマン活性をLDA+U汎関数を用いた第一原理計算により計算し，先行研究の実験値との比較および考察を行った．実験値との比較および考察においては，蛍石型構造に由来するF<sub>2g</sub>モードのピークおよび不定比性試料で新たに出現...

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Material Type: 記事
Title: 不定比性セリウム酸化物におけるラマン活性の第一原理計算による解析
Author Heading: 櫻原達也
田中知
Publication Date: 2012
Publication Date (W3CDTF): 2012
Periodical title: 原子力学会予稿集
No. or year of volume/issue: 2012f 0
Volume: 2012f
Issue: 0
Pages: 371-
Publication date of volume/issue (W3CDTF): 2012
Publication (Periodical Title): Atomic Energy Society of Japan
Text Language Code: ja
Subject Heading: Cerium oxide
Non-stoichiometry
DFT calculation
Raman activity
酸化セリウム
不定比性
密度汎関数法
ラマン活性
Target Audience: 一般
DOI: 10.11561/aesj.2012f.0.371.0
https://doi.org/10.11561/aesj.2012f.0.371.0
Data Provider (Database): 国立情報学研究所 : CiNii Research
https://cir.nii.ac.jp/
Original Data Provider (Database): Japan Link Center
https://japanlinkcenter.org/top
CiNii Articles
NAID: 130005051592