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Spin-orbit and anisotropic strain effects on the electronic correlations in Sr_2RuO_4

机译:自旋轨道和各向异性应变对Sr_2RuO_4中电子相关性的影响

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摘要

We present an implementation of the rotationally invariant slave boson technique as an impurity solver for density functional theory plus dynamical mean field theory (DFT+DMFT). Our approach provides explicit relations between quantities in the local correlated subspace treated with DMFT and the Bloch basis used to solve the DFT equations. In particular, we present an expression for the mass enhancement of the quasiparticle states in reciprocal space. We apply the method to the study of the electronic correlations in Sr_2RuO_4 under anisotropic strain. We find that the spin-orbit coupling plays a crucial role in the mass enhancement differentiation between the quasi-one-dimensional α and β bands, and on its momentum dependence over the Fermi surface. The mass enhancement, however, is only weakly affected by either uniaxial or biaxial strain, even across the Lifshitz transition induced by the strain.
机译:我们提出了旋转不变的从玻色子技术的实现,作为密度泛函理论和动力学平均场论(DFT + DMFT)的杂质求解器。我们的方法提供了用DMFT处理的局部相关子空间中的数量与用于求解DFT方程的Bloch基础之间的显式关系。特别是,我们提出了一种在倒易空间中质量增强准粒子态的表达式。我们将该方法应用于各向异性应变下Sr_2RuO_4中的电子相关性研究。我们发现,自旋轨道耦合在准一维α和β带之间的质量增强差异及其在费米表面上的动量依赖性方面起着至关重要的作用。然而,质量增强仅受单轴或双轴应变的微弱影响,即使在应变引起的Lifshitz跃变中也是如此。

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  • 来源
    《Physical review. B, Condensed Matter And Materals Physics》 |2018年第8期|085121.1-085121.10|共10页
  • 作者单位

    Centra Atomico Bariloche and Instituto Balseiro, CNEA, CONICET, (8400) Bariloche, Argentina,Institute for Theoretical Solid State Physics, IEW Dresden, Helmholtzstrasse 20, 01069 Dresden, Germany;

    Jozef Stefan Institute, Jamova 39, SI-1000 Ljubljana, Slovenia;

    CPHT, Ecole Polytechnique, CNRS, Universite Paris-Saclay, Route de Saclay, 91128 Palaiseau, Erance,College de France, 11 Place Marcelin Berthelot, 75005 Paris, France;

    Centra Atomico Bariloche and Instituto Balseiro, CNEA, CONICET, (8400) Bariloche, Argentina;

    Departamento de Materia Condensada, GlyA, CNEA, CONICET, (1650) San Martin, Provincia de Buenos Aires, Argentina;

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