Material Design, Synthesis, Measurements of Structural and Physical Properties, and Electronic Structure Calculation of New Functional Oxides: Novel A-site Ordered Perovskite Structure Oxides
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- Tohyama Takenori
- Institute for Chemical Research, Kyoto University
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- Saito Takashi
- Institute for Chemical Research, Kyoto University
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- Shimakawa Yuichi
- Institute for Chemical Research, Kyoto University
Bibliographic Information
- Other Title
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- 機能性酸化物材料の設計・合成・構造物性評価・電子構造解析:新規Aサイト秩序型ペロブスカイト酸化物
- キノウセイ サンカブツ ザイリョウ ノ セッケイ ゴウセイ コウゾウ ブッセイ ヒョウカ デンシ コウゾウ カイセキ シンキ Aサイト チツジョガタ ペロブスカイト サンカブツ
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Abstract
We evaluated structural stabilities for A-site-ordered perovskites using the computer program "SPuDS", and succeeded in synthesizing designed AMn3Al4O12 (A=Y, Dy) under high-pressure and high-temperature conditions. Bond Valence Sum calculations with the refined structural parameters revealed that the compounds are represented as ionic A3+Mn3+3Al3+4O2-12. Mn3+ ions at the A' site produce high-spin magnetic moments and they align antiferromagnetically. The A-site Dy spins, on the other hand, behave paramagnetically and show no correlation with the A'-site Mn spins. The antiferromagnetism of the A'-site Mn spins is caused by the nearest neighboring Mn-Mn direct exchange interaction.
Journal
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- Journal of the Japan Society of Powder and Powder Metallurgy
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Journal of the Japan Society of Powder and Powder Metallurgy 57 (12), 779-785, 2010
Japan Society of Powder and Powder Metallurgy
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Keywords
Details 詳細情報について
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- CRID
- 1390001206306867200
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- NII Article ID
- 10027756555
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- NII Book ID
- AN00222724
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- ISSN
- 18809014
- 05328799
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- NDL BIB ID
- 10949547
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- Text Lang
- ja
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- Data Source
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- JaLC
- NDL
- Crossref
- CiNii Articles
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- Abstract License Flag
- Disallowed