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arXiv 1402.3889cond-mat.supr-concond-mat.str-el
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Ca10(Ir4As8)(Fe2-xIrxAs2)5中结构相变时的铱轨道交叉

Iridium Orbital Crossover at the Structural Phase Transition in Ca10(Ir4As8)(Fe2-xIrxAs2)5

Kento Sugawara, Naoyuki Katayama, Yuki Sugiyama, Takafumi Higuchi, Kazutaka Kudo, Daisuke Mitsuoka, Minoru Nohara, Hiroshi Sawa

摘要:

我们报告的结构转变中发现的Ca 10(Ir 4As 8)(Fe 2-xIrxAs 2)5,表现出超导性在16 K,与二价铱配位砷之间的Fe 2 As 2层。的c轴参数的两倍以下的结构转变温度约为100 K,而与空间群P4/n(No.85)的tetraphite对称性是不变的,在所有温度下测量。我们的同步加速器X射线衍射研究清楚地表明,沿z方向的位移发生在一半的铱网站,导致在一个复杂的轨道有序模式。结合我们对5d轨道能量的理论计算和结构数据,我们提出了dxy和dz 2轨道之间的铱轨道交叉跃迁。

英文摘要:

We report a structural transition found in Ca10(Ir4As8)(Fe2-xIrxAs2)5, which exhibits superconductivity at 16 K, with a layer of divalent iridium coordinated by arsenic in between Fe2As2 layers. The c-axis parameter is doubled below a structural transition temperature of approximately 100 K, while the tetragonal symmetry with space group P4/n (No.85) is unchanged at all temperatures measured. Our synchrotron x-ray diffraction study clearly shows displacements along the z-direction occur in half of the iridium sites, resulting in a complex orbital ordering pattern. Combining our theoretical calculation of the 5d orbital energies with structural data, we propose the iridium orbital crossover transition between the dxy and dz2 orbitals.

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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