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关于稀土-过渡金属化合物中的 R5d 带偏振。

On the R 5d band polarization in rare-earth-transition metal compounds.

机构信息

Faculty of Physics, Babes-Bolyai University, 400084, Cluj-Napoca, Romania.

出版信息

J Phys Condens Matter. 2011 Jan 19;23(2):026001. doi: 10.1088/0953-8984/23/2/026001. Epub 2010 Dec 9.

Abstract

Magnetic measurements and band structure calculations were performed on RT(2) and RT(5) compounds, where R is a heavy rare-earth and T = Fe, Co, Ni, Al, as well as on pseudobinary compounds GdCo(2 - x)A(x) (A = Ni, Cu, Si), YFe(2 - x)V(x) and YCo(4 - x)Ni(x)B. The calculated moments per formula unit described well the experimentally determined magnetizations. By considering the 4f-5d-3d exchange interactions, we evaluate the contributions of local 4f-5d and short range 5d-3d interactions to R 5d and Y 4d band polarizations. The 4f-5d induced polarizations are proportional to the De Gennes factor and are the same for a given R and a similar type structure. The R 5d and Y 4d band polarizations induced by R 5d-T3d or Y 4d-T3d hybridizations are proportional to the number of neighbouring T atoms, to a given R, and their magnetic moments. Previous results on the matter are also discussed.

摘要

对 RT(2) 和 RT(5) 化合物(其中 R 为重稀土元素,T = Fe、Co、Ni、Al)以及 GdCo(2 - x)A(x)(A = Ni、Cu、Si)、YFe(2 - x)V(x) 和 YCo(4 - x)Ni(x)B 伪二元化合物进行了磁性测量和能带结构计算。每个分子式的计算磁矩很好地描述了实验确定的磁化强度。通过考虑 4f-5d-3d 交换相互作用,我们评估了局部 4f-5d 和短程 5d-3d 相互作用对 R 5d 和 Y 4d 带极化的贡献。4f-5d 诱导的极化与德拜因子成正比,对于给定的 R 和类似结构是相同的。由 R 5d-T3d 或 Y 4d-T3d 杂化引起的 R 5d 和 Y 4d 带极化与相邻 T 原子的数量、给定的 R 及其磁矩成正比。还讨论了之前关于这个问题的结果。

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