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α-γ transition in cerium: Magnetic form factor and dynamic magnetic susceptibility in dynamical mean-field theory

机译：铈中的α-γ跃迁：动力学平均场理论中的磁形态因子和动态磁化率

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摘要

The nature of the elemental cerium phases, undergoing an isostructural volume collapse transition, cannot be understood using conventional solid-state concepts. Using the combination of density functional theory and dynamical mean-field theory, we study the magnetic properties of both the a and the γ phases. We compute the magnetic form factor and show that it is very close to the free ion behavior in both the local moment γ phase as well as the more itinerant α phase, in agreement with neutron scattering experiments. In sharp contrast, the dynamic local magnetic susceptibility of the two phases is strikingly different. In the γ phase, the sharp low energy peak due to local moment formation and consequently low Kondo temperature dominates the spectra. In α phase two broad peaks can be identified, the first is due to Kondo screening and the second is due to Hund's coupling. This shows that hybridization plays a central role in the α-γ transition in cerium, and that from the point of view of magnetic properties, the 4f electrons are strongly correlated in both phases.
机译：使用常规固态概念无法理解经历了等结构体积塌陷转变的元素铈相的性质。结合密度泛函理论和动力学平均场理论，我们研究了a和γ相的磁性。我们计算了磁形状因数，并表明它与中子散射实验相一致，在局部矩γ相以及更流动的α相中都非常接近自由离子行为。形成鲜明对比的是，两相的动态局部磁化率显着不同。在γ相中，由于局部力矩的形成而导致的尖锐的低能量峰以及因此较低的近藤温度在光谱中占主导地位。在α相中，可以识别出两个宽峰，第一个是由于Kondo筛选，第二个是由于Hund偶合。这表明杂化在铈的α-γ跃迁中起着核心作用，并且从磁特性的角度来看，4f电子在两个相中都具有很强的相关性。

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  • 来源
    《Physical review》 |2014年第12期|125113.1-125113.4|共4页
  • 作者

    B. Chakrabarti; M. E. Pezzoli; G. Sordi; K. Haule; G. Kotliar;

  • 作者单位

    Department of Physics & Astronomy, Rutgers University, Piscataway, New Jersey 08854-8019, USA;

    Department of Physics and Astronomy, Stony Brook University, Stony Brook, New York 11794, USA,Department of Physics & Astronomy, Rutgers University, Piscataway, New Jersey 08854-8019, USA;

    SEPnet and Hubbard Theory Consortium, Department of Physics, Royal Holloway, University of London, Egham, Surrey TW20 0EX, United Kingdom,Theory Group, Institut Laue Langevin, 6 rue Jules Horowitz, 38042 Grenoble Cedex, France;

    Department of Physics & Astronomy, Rutgers University, Piscataway, New Jersey 08854-8019, USA;

    Department of Physics & Astronomy, Rutgers University, Piscataway, New Jersey 08854-8019, USA;

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  • 关键词

    strongly correlated electron systems; heavy fermions; metal-insulator transitions and other electronic transitions;

    机译：强相关电子系统;重费米子金属绝缘体过渡和其他电子过渡;

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