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論文

Spontaneous formation of suboxidic coordination around Co in ferromagnetic rutile Ti$$_{0.95}$$Co$$_{0.05}$$O$$_2$$ film

Hu, W.*; 林 好一*; 福村 知昭*; 赤木 和人*; 塚田 捷*; 八方 直久*; 細川 伸也*; 大和田 謙二; 高橋 正光; 鈴木 基寛*; et al.

Applied Physics Letters, 106(22), p.222403_1 - 222403_5, 2015/06

https://doi.org/10.1063/1.4921847
 被引用回数：42 パーセンタイル：80.20(Physics, Applied)

The local atomic structures around Co in high temperature diluted ferromagnetic semiconductor Co-doped TiO$$_2$$ has been investigated using X-ray fluorescence holography and X-ray absorption fine structure experiments. While the Co atoms in the Ti$$_{0.99}$$Co$$_{0.01}$$O$$_2$$ simply substituted for Ti sites in the rutile structure, a suboxidic arrangement of CoO$$_2$$Ti$$_4$$ was found to form around Co in the Ti$$_{0.95}$$Co$$_{0.05}$$O$$_2$$ films. First-principles calculations supported the stability of the aggregated suboxidic clusters in the rutile TiO$$_2$$. The suboxidic coordination may be the source of strong exchange interaction, resulting in the high Curie temperature in Co-dopedTiO$$_2$$.

論文

True Boundary for the formation of homoleptic transition-metal hydride complexes

高木 成幸*; 飯島 祐樹*; 佐藤 豊人*; 齋藤 寛之; 池田 一貴*; 大友 季哉*; 三輪 和利*; 池庄司 民夫*; 青木 勝敏*; 折茂 慎一*

Angewandte Chemie; International Edition, 54(19), p.5650 - 5653, 2015/05

https://doi.org/10.1002/anie.201500792
 被引用回数：36 パーセンタイル：68.89(Chemistry, Multidisciplinary)

Despite many exploratory studies over the past several decades, the presently known transition metals that form homoleptic transition-metal hydride complexes are limited to the Groups 7-12. Here we present evidence for the formation of Mg$$_{3}$$CrH$$_{8}$$, containing the first Group 6 hydride complex [CrH$$_{7}]$$$$^{5-}$$.

論文

Density-functional study of perovskite-type hydride LiNiH$$_{3}$$ and its synthesis; Mechanism for formation of metallic perovskite

高木 成幸*; 齋藤 寛之; 遠藤 成輝; 佐藤 龍太郎*; 池庄司 民夫*; 松尾 元彰*; 三輪 和利*; 青木 勝敏; 折茂 慎一*

Physical Review B, 87(12), p.125134_1 - 125134_6, 2013/03

https://doi.org/10.1103/PhysRevB.87.125134
 被引用回数：26 パーセンタイル：67.90(Materials Science, Multidisciplinary)

A metallic perovskite-type hydride LiNiH$$_{3}$$ was synthesized based on first-principles prediction. We theoretically examined its electronic structure and found that half of the Ni-H derived antibonding states are occupied and that the modest thermodynamic stability depends on a delicate balance between (1) destabilization and (2) alleviation of compression frustration in corner-sharing octahedra, both of which arise from occupation of antibonding states. Through density-functional analyses of the electronic structure and lattice instability extending over Li$$T$$H$$_{3}$$ series ($$T$$ = Fe, Co, Ni, and Cu), we showed that the balance is in fact reflected in their thermodynamic stability.

論文

Formation of an Fe-H complex anion in YFe$$_{2}$$; Adjustment of imbalanced charge by additional Li as an electron donor

松尾 元彰*; 齋藤 寛之; 町田 晃彦; 佐藤 龍太郎*; 高木 成幸*; 三輪 和利*; 綿貫 徹; 片山 芳則; 青木 勝敏; 折茂 慎一*

RSC Advances (Internet), 3(4), p.1013 - 1016, 2013/01

https://doi.org/10.1039/c2ra22497f
 被引用回数：20 パーセンタイル：53.03(Chemistry, Multidisciplinary)

The novel complex hydride YLiFeH$$_{6}$$ with the Fe-H complex anion ([FeH$$_{6}$$]$$^{4-}$$) was synthesized by hydrogenation of YFe$$_{2}$$ together with additional Li. Li adjusts the original imbalanced charge between Y$$^{3+}$$ and [FeH$$_{6}$$]$$^{4-}$$ by donating an electron to convert into Li$$^{+}$$ during the hydrogenation, resulting in the formation of the well charge-balanced state of Y$$^{3+}$$Li$$^{+}$$[FeH$$_{6}$$]$$^{4-}$$.

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