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Quantum and thermal ionic motion, oxygen isotope effect, and superexchange distribution in La_2CuO_4

机译:La_2CuO_4中的量子和热离子运动,氧同位素效应和超交换分布

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摘要

We study the zero-point and thermal ionic motion in La_2CuO_4 by means of high-resolution neutron-diffraction experiments. Our results demonstrate anisotropic motion of O and, to a lesser extent, Cu ions, both consistent with the structure of coupled CuO_6 octahedra, and quantify the relative effects of zero-point and thermal contributions to ionic motion. By substitution of ~(18)O, we find that the oxygen isotope effect on the lattice dimensions is small and negative (-0.01%), while the isotope effect on the ionic displacement parameters is significant (-6 to 50%). We use our results as input for theoretical estimates of the distribution of magnetic interaction parameters, J, in an effective one-band model for the cuprate plane. We find that ionic motion causes only small (1%) effects on the average value , which vary with temperature and O isotope, but results in dramatic (10-20%) fluctuations in J values that are subject to significant (8-12%) isotope effects. We demonstrate that this motional broadening of J can have substantial effects on certain electronic and magnetic properties in cuprates.
机译:我们通过高分辨率中子衍射实验研究了La_2CuO_4中的零点和热离子运动。我们的研究结果表明,O和Cu离子(在较小程度上)的各向异性运动均与耦合的CuO_6八面体的结构一致,并量化了零点和热对离子运动的相对影响。通过〜(18)O的取代,我们发现氧同位素对晶格尺寸的影响很小且为负(-0.01%),而同位素对离子位移参数的影响则很明显(-6至50%)。我们使用我们的结果作为输入,以在铜酸盐平面的有效单波段模型中对电磁相互作用参数J的分布进行理论估计。我们发现离子运动仅对平均值产生很小的(1%)影响,随温度和O同位素的变化而变化,但导致J值出现剧烈的(10-20%)波动,该波动很大(8 -12%)同位素效应。我们证明了J的这种运动展宽可以对铜酸盐中的某些电子和磁性产生重大影响。

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  • 来源
    《Physical review》 |2014年第8期|085113.1-085113.13|共13页
  • 作者单位

    Laboratory for Solid State Physics, ETH Zuerich, CH-8093 Zuerich, Switzerland;

    Laboratory for Solid State Physics, ETH Zuerich, CH-8093 Zuerich, Switzerland ,Laboratory for Neutron Scattering, Paul Scherrer Institute, CH-5232 Villigen PSI, Switzerland ,Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory and Stanford University, Menlo Park, California 94025, USA;

    Laboratory for Quantum Magnetism, Ecole Polytechnique Federate de Lausanne (EPFL), 1015 Lausanne, Switzerland;

    Laboratory for Quantum Magnetism, Ecole Polytechnique Federate de Lausanne (EPFL), 1015 Lausanne, Switzerland;

    Laboratory for Quantum Magnetism, Ecole Polytechnique Federate de Lausanne (EPFL), 1015 Lausanne, Switzerland;

    Laboratory for Solid State Physics, ETH Zuerich, CH-8093 Zuerich, Switzerland;

    Laboratory for Neutron Scattering, Paul Scherrer Institute, CH-5232 Villigen PSI, Switzerland;

    Laboratory for Developments and Methods, Paul Scherrer Institute, CH-5232 Villigen PSI, Switzerland;

    Laboratory for Developments and Methods, Paul Scherrer Institute, CH-5232 Villigen PSI, Switzerland;

    Laboratory for Developments and Methods, Paul Scherrer Institute, CH-5232 Villigen PSI, Switzerland ,Laboratory of Soft Chemistry and Reactivity, University of Rennes 1 UMR 6226, 35042 Rennes, France;

    Laboratory for Neutron Scattering, Paul Scherrer Institute, CH-5232 Villigen PSI, Switzerland ,Department of Physics, Technical University of Denmark (DTU), DK-2800 Kongens Lyngby, Denmark;

    Department of Physics, University of Oslo, P. O. Box 1048 Blindern, N-0316 Oslo, Norway;

    Department of Physics, Renmin University of China, Beijing 100872, People's Republic of China;

    Laboratory for Quantum Magnetism, Ecole Polytechnique Federate de Lausanne (EPFL), 1015 Lausanne, Switzerland;

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  • 正文语种 eng
  • 中图分类
  • 关键词

    properties of type Ⅰand type Ⅱ superconductors; exchange and superexchange interactions;

    机译:Ⅰ型和Ⅱ型超导体的性能;交换和超交换交互;

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