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arXiv 0909.5335cond-mat.supr-concond-mat.str-el
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Nd的$4f$态对氧磷属化合物超导体NdFeAsO $_{1-x}$ F $_x$磁行为和电场梯度的影响

Influence of the Nd $4f$ states on the magnetic behavior and the electric field gradient of the oxypnictides superconductors NdFeAsO$_{1-x}$F$_x$

P. Jeglic, J. -W. G. Bos, A. Zorko, M. Brunelli, K. Koch, H. Rosner, S. Margadonna, D. Arcon

摘要:

用高分辨同步辐射X射线粉末衍射、磁化强度和$^{75}$ As核磁共振测量研究了NdFeAsO $_{1-x}$ F $_{x}$($T_C=43 {\rm K}$为$x=0.15$)超导相的结构、电子和磁性。采用密度泛函方法计算并分析了电场梯度和态密度。与LaFeAsO族相比,NdFeAsO族显示出晶格参数的收缩,具有较短的稀土(RE)-As键距、增加的As-Fe $_2$ -As层厚度和较少的Fe-As $_4$四面体畸变。相对于La类似物,$^{75}$ As四极频率增强。这是由于一个更长的$4p$电子分布,主要是由减少晶格参数,而不是由Nd $4f$电子的存在。一个不可忽略的超精细之间的耦合的$^{75}$作为核和Nd $4f$状态表明REO和FeAs层之间的弱耦合,并可能打开一个Ruderman-Kittel-Kasuya-Yosida(RKKY)-型的本地Nd $4f$时刻之间的相互作用的巡回Fe 3d和/或Nd $5d$状态介导的通道。

英文摘要:

The structural, electronic, and magnetic properties of the superconducting NdFeAsO$_{1-x}$F$_{x}$ phases ($T_C=43 {\rm K}$ for $x=0.15$) have been investigated experimentally by high-resolution synchrotron x-ray powder diffraction, magnetization and $^{75}$As NMR measurements. Density-functional calculations were performed to calculate and analyze the electric field gradient and the density of states. Compared to LaFeAsO family, the NdFeAsO family shows a contraction of the lattice parameters with shorter rare-earth (RE)-As bond distances, an increased thickness of the As-Fe$_2$-As layer, and less distorted Fe-As$_4$ tetrahedra. The $^{75}$As quadrupole frequencies are enhanced with respect to the La analogs. This is due to a more prolate As $4p$ electron distribution mainly caused by the reduced lattice parameters and not by the presence of Nd $4f$ electrons. A non-negligible hyperfine coupling between the $^{75}$As nuclei and the Nd $4f$ states indicates a weak coupling between the REO and FeAs layer and possibly opens the channel for a Ruderman-Kittel-Kasuya-Yosida (RKKY)-type interaction between localized Nd $4f$ moments mediated by itinerant Fe 3d and/or Nd $5d$ states.

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