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首页> 外文期刊>Physical review >Influence of the multiplet structure on the photoemission spectra of spin-orbit driven Mott insulators: Application to Sr_2IrO_4
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Influence of the multiplet structure on the photoemission spectra of spin-orbit driven Mott insulators: Application to Sr_2IrO_4

机译：多重结构对自旋轨道驱动的Mott绝缘子光发射光谱的影响：在Sr_2IrO_4中的应用

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摘要

Most of the low-energy effective descriptions of spin-orbit driven Mott insulators consider spin-orbit coupling (SOC) as a second-order perturbation to electron-electron interactions. However, when SOC is comparable to anisotropic Hund's coupling, such as in Ir, the validity of this formally weak SOC approach is not a priori known. Depending on the relative strength of SOC and anisotropic Hund's coupling, different descriptions of the multiplet structure should be employed in the weak and strong SOC limits, viz. LS and jj coupling schemes, respectively. We investigate the implications of both the coupling schemes on the low-energy effective t-J model and calculate the angle-resolved photoemission (ARPES) spectra using self-consistent Born approximation. In particular, we obtain the ARPES spectra of quasi-two-dimensional square-lattice iridate Sr_2IrO_4 in both weak and strong SOC limits. The differences in the limiting cases are understood in terms of the composition and relative energy splittings of the multiplet structure. Our results indicate that the LS coupling scheme yields better agreement with the experiment, thus providing an indirect evidence for the validity of LS coupling scheme for iridates. We also discuss the implications for other metal ions with strong SOC.
机译：自旋轨道驱动的Mott绝缘子的大多数低能效描述都将自旋轨道耦合（SOC）视为对电子-电子相互作用的二次扰动。但是，当SOC与各向异性Hund耦合相当时（例如在Ir中），这种形式上较弱的SOC方法的有效性就不是先验的。根据SOC和各向异性Hund耦合的相对强度，应在弱和强SOC极限下采用多重结构的不同描述，即。 LS和jj耦合方案分别。我们调查这两种耦合方案对低能效t-J模型的影响，并使用自洽Born近似计算角度分辨光发射（ARPES）光谱。特别地，我们获得了在弱和强SOC限制下准二维方格晶状铱酸盐Sr_2IrO_4的ARPES光谱。可以根据多重结构的组成和相对能分裂来理解极限情况下的差异。我们的结果表明，LS偶联方案与实验结果更好地吻合，从而为LS方案对伊立特的有效性提供了间接证据。我们还将讨论具有强SOC的其他金属离子的含义。

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  • 来源
    《Physical review》 |2018年第6期|064422.1-064422.14|共14页
  • 作者

    Ekaterina M. Paerschke; Rajyavardhan Ray;

  • 作者单位

    IFW Dresden, Helmholtzstr. 20, 01069 Dresden, Germany,Department of Physics, University of Alabama at Birmingham, Birmingham, Alabama 35294, USA;

    IFW Dresden, Helmholtzstr. 20, 01069 Dresden, Germany,Dresden Center for Computational Material Science (DCMS), TU Dresden, 01062 Dresden, Germany;

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