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arXiv 0904.4022cond-mat.supr-concond-mat.str-el
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铁基超导体BaFe1.85 Co 0.15 As 2能带的轨道性质

The orbital characters of bands in iron-based superconductor BaFe1.85Co0.15As2

Y. Zhang, F. Chen, C. He, B. Zhou, B. P. Xie, C. Fang, W. F. Tsai, X. H. Chen, H. Hayashi, J. Jiang, H. Iwasawa, K. Shimada, H. Namatame, M. Taniguchi, J. P. Hu, D. L. Feng

摘要:

新发现的铁基超导体的非常规超导电性与其多带/多轨道性质密切相关。本文通过对角分辨光电子能谱数据的偏振态和光子能量依赖性的研究,报道了BaFe $_{1.85}$ Co $_{0.15}$ As $_2$中低能三维电子结构的综合轨道特征。虽然$d_{xz}$、$d_{yz}$和$d_{3z^2-r^2}$轨道的分布与密度泛函理论的预测一致,但$d_{xy}$和$d_{x^2-y^2}$轨道的分布与理论明显不一致。我们的结果指出了现有能带结构计算的不足,更重要的是,为构建正确的铁磷属元素化物微观模型提供了基础。

英文摘要:

The unconventional superconductivity in the newly discovered iron-based superconductors is intimately related to its multi-band/multi-orbital nature. Here we report the comprehensive orbital characters of the low-energy three-dimensional electronic structure in BaFe$_{1.85}$Co$_{0.15}$As$_2$ by studying the polarization and photon energy dependence of angle-resolved photoemission data. While the distributions of the $d_{xz}$, $d_{yz}$, and $d_{3z^2-r^2}$ orbitals agree with the prediction of density functional theory, those of the $d_{xy}$ and $d_{x^2-y^2}$ orbitals show remarkable disagreement with theory. Our results point out the inadequacy of the existing band structure calculations, and more importantly, provide a foundation for constructing the correct microscopic model of iron pnictides.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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