Preparation, Crystal Structure, and Magnetotransport Properties of the New CdCu3Mn4O12 Perovskite: A Comparison with Density Functional Theory Calculations

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• 作者：Javier S谩nchez-Ben铆tez ; Paula Kayser ; 脕ngel Morales-Garc铆a ; Mar铆a Jes煤s Mart铆nez-Lope ; Federico J. Mompe谩n ; Jianmei Xu ; Zhenmin Jin ; Jos茅 Antonio Alonso
• 刊名：Journal of Physical Chemistry C
• 出版年：2014
• 出版时间：May 8, 2014
• 年：2014
• 卷：118
• 期：18
• 页码：9652-9658
• 全文大小：353K
• 年卷期：v.118,no.18(May 8, 2014)
• ISSN：1932-7455

文摘

The A-site ordered perovskite oxide CdCu₃Mn₄O₁₂ has been synthesized for the first time in polycrystalline form under high pressure (7 GPa) and high temperature (1000 掳C) conditions, required to stabilize the small Cd and Cu cations at the A positions of the perovskite. The crystal structure has been studied by X-ray powder diffraction at room temperature. This oxide crystallizes in the cubic space group Im3̅ (no. 204) with the unit-cell parameter a = 7.2179(5) 脜 at 300 K. The MnO₆ network is extremely tilted, giving rise to a square planar coordination for Cu²⁺ cations. The magnetic characterization shows that this compound is ferrimagnetic with an ordering temperature T_C = 347 K, well above room temperature. A metallic behavior is displayed between 10 and 300 K. Negative magnetoresistance (MR) of 15% is achieved at 10 K for H = 9 T; MR is still significant at room temperature, displaying values above 7% for H = 9 T. Density functional theory calculations carried out on the density of states lead to electronic and magnetic features in good agreement with the obtained experimental results.