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首页> 外文期刊>Physical review >Electronic structure of CeFeAsO_(1-x)F_x (x=0, 0.11, and 0.12)
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Electronic structure of CeFeAsO_(1-x)F_x (x=0, 0.11, and 0.12)

机译：CeFeAsO_（1-x）F_x（x = 0、0.11和0.12）的电子结构

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摘要

We report an extensive study on the intrinsic bulk electronic structure of the high-temperature superconductor CeFeAsO_(0.89)F_(0.11) and its parent compound CeFeAsO by soft and hard x-ray photoemissions, x-ray absorption, and soft x-ray emission spectroscopies. The complementary surface/bulk probing depth, and the elemental and chemical sensitivity of these techniques allow resolving the intrinsic electronic structure of each element and correlating it with the local structure, which has been probed by extended x-ray absorption fine-structure spectroscopy. The measurements indicate a predominant 4f~1 (I.e., Ce~(3+)) initial-state configuration for cerium and an effective valence-band-to-4f charge-transfer screening of the core hole. The spectra also reveal the presence of a small Ce f~0 initial-state configuration, which we assign to the occurrence of an intermediate-valence state. The data reveal a reasonably good agreement with the partial density of states as obtained in standard density-functional calculations over a large energy range. Implications for the electronic structure of these materials are discussed.
机译：我们报告了通过软和硬X射线光发射，X射线吸收和软X射线发射对高温超导体CeFeAsO_（0.89）F_（0.11）及其母体CeFeAsO的本征体电子结构的广泛研究光谱学。互补的表面/本体探测深度以及这些技术的元素敏感性和化学敏感性允许解析每个元素的固有电子结构，并将其与局部结构相关联，这已通过扩展X射线吸收精细结构光谱学进行了探讨。测量结果表明铈具有主要的4f-1（即Ce〜（3+））初始状态构型，并且对芯孔进行了有效的价带到4f电荷转移筛选。光谱还揭示了小的Ce f〜0初始状态构型的存在，我们将其分配给中间价态的出现。数据表明，在较大的能量范围内，通过标准密度函数计算获得的状态部分密度与状态的局部密度具有相当好的一致性。讨论了这些材料对电子结构的影响。

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  • 来源
    《Physical review》 |2010年第1期|P.014529.1-014529.11|共11页
  • 作者

    F. Bondino; E. Magnano; C. H. Booth; F. Offi; G. Panaccione; M. Malvestuto; G. Paolicelli; L. Simonelli; F. Parmigiani; M. A. McGuire; A. S. Sefat; B. C. Sales; R. Jin; P. Vilmercati; D. Mandrus; D. J. Singh; N. Mannella;

  • 作者单位

    Laboratorio TASC, IOM-CNR, S.S. 14 km 163.5, Basovizza, I-34149 Trieste, Italy;

    Laboratorio TASC, IOM-CNR, S.S. 14 km 163.5, Basovizza, I-34149 Trieste, Italy;

    Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA;

    CNISM and Dipartimento di Fisica, Universita Roma Tre, Via delta Vasca Navale 84, I-00146 Roma, Italy;

    Laboratorio TASC, IOM-CNR, S.S. 14 km 163.5, Basovizza, I-34149 Trieste, Italy;

    Sincrotrone Trieste S.C.p.A, Area Science Park, S.S. I4 km 163.5, Basovizza, I-34149 Trieste, Italy;

    National Research Center S3, CNR-INFM, Via Campi 213/a, I-41100 Modena, Italy;

    European Synchrotron Radiation Facility, BP 220, 38042 Grenoble, France;

    Laboratorio TASC, IOM-CNR, S.S. 14 km 163.5, Basovizza, I-34149 Trieste, Italy Dipartimento di Fisica, Universita degli Studi di Trieste, I-34124 Trieste, Italy;

    Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA;

    Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA;

    Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA;

    Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee, USA;

    Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee, USA;

    Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA;

    Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA;

    Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee, USA;

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  • 正文语种 eng
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  • 关键词

    electronic structure; magnetic properties; X-ray absorption spectra; photoemission and photoelectron spectra;

    机译：电子结构;磁性;X射线吸收光谱;光发射和光电子光谱;

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