A first DFT+DMFT calculation of electron-phonon coupling finds that correlations strongly enhance a Jahn-Teller mode coupling in SrVO3, slightly suppress a breathing mode, and introduce strong electron-frequency dependence in both materials.
Electron-phonon origins of unconventional resistivity in moderately correlated perovskite oxides
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abstract
Transition-metal perovskite oxides exhibit moderately correlated metallic phases, several of which exhibit a $T^2$ resistivity scaling up to temperatures far exceeding the regime where Fermi-liquid electron-electron scattering is expected to dominate. Some of these materials, such as SrMoO$_3$, also exhibit unexplained ultra-low room-temperature resistivity. We demonstrate that in SrMoO$_3$, SrWO$_3$, SrTaO$_3$, SrNbO$_3$, and SrVO$_3$ electron-phonon scattering results in quadratic-scaling resistivity due to the shape of the Fermi surface and the thermal activation of optical phonons. We also reveal that the origin of the low resistivity of SrMoO$_3$ is an overall low electron-phonon coupling strength, and identify SrWO$_3$ and SrTaO$_3$ as other possible low-resistivity oxides. Additionally, we find that the strength of electron-phonon coupling is sensitive to structural distortions, energies of optical phonons, and the treatment of electronic correlations. This suggests design principles for finding other ultra-high conductivity transition-metal oxides, and has significant implications for theoretical interpretation of direct-current resistivity in transition-metal oxides and beyond.
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Electron-Phonon Coupling in Correlated Metals: A Dynamical Mean-Field Theory Study
A first DFT+DMFT calculation of electron-phonon coupling finds that correlations strongly enhance a Jahn-Teller mode coupling in SrVO3, slightly suppress a breathing mode, and introduce strong electron-frequency dependence in both materials.