Electronic Structure, Magnetic Ordering, and Formation Pathway of the Transition Metal Oxide Hydride LaSrCoO3H0.7
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- 作者：Craig A. Bridges ; George R. Darling ; Michael A. Hayward ; and Matthew J. Rosseinsky
- 刊名：Journal of the American Chemical Society
- 出版年：2005
- 出版时间：April 27, 2005
- 年：2005
- 卷：127
- 期：16
- 页码：5996 - 6011
- 全文大小：572K
- 年卷期：v.127,no.16(April 27, 2005)
- ISSN：1520-5126
文摘
The role of the hydride anion in controlling the electronic properties of the transition metal oxidehydride LaSrCoO3H0.7 is investigated theoretically by full potential DFT band structure calculation andexperimentally by determination of the Néel temperature for three-dimensional magnetic ordering. Themechanism by which hydrogen is introduced into the solid is addressed by in situ X-ray diffraction studiesof the formation of the oxide hydride, which reveal both a relationship between the microscopic growth ofthe observed oxide hydride order and the anisotropic broadening of the diffraction profile, and the existenceof a range of intermediate compositions.