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arXiv · 1504.00292

Transport properties of Metallic Ruthenates: a DFT+DMFT investigation

Xiaoyu Deng·Kristjan Haule·Gabriel Kotliar
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Abstract

We present a systematical theoretical study on the transport properties of an archetypal family of Hund's metals, Sr$_2$RuO$_4$,Sr$_3$Ru$_2$O$_7$, SrRuO$_3$ and CaRuO$_3$, within the combination of first principles density functional theory and dynamical mean field theory. The agreement between theory and experiments for optical conductivity and resistivity is good, which indicates that electron-electron scattering dominates the transport of ruthenates. We demonstrate that in the single-site dynamical mean field approach the transport properties of Hund's metals fall into the scenario of "resilient quasiparticles". We explains why the single layered compound Sr$_2$RuO$_4$ has a relative weak correlation with respect to its siblings, which corroborates its good metallicity.

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Xiaoyu Deng, Kristjan Haule, Gabriel Kotliar. 2015-04-01. Transport properties of Metallic Ruthenates: a DFT+DMFT investigation. https://doi.org/10.1103/physrevlett.116.256401

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