发表机构
Center for Computational Quantum Physics, Flatiron Institute; Institute for Theoretical Physics, University of Cologne; Collège de France; CPHT, CNRS, École Polytechnique, IP Paris; DQMP, Université de Genève; Department of Physics and Astronomy, Stony Brook University（计算量子物理中心，平顿研究所; 科隆大学理论物理研究所; 法兰西学院; 法国国家科学研究中心、巴黎综合理工学院、巴黎理工学院的CPHT中心; 日内瓦大学DQMP; 石溪大学物理与天文学系）
机构由 AI 辅助整理，请以论文原文为准。AI 中文总结
本研究通过DFT+DMFT计算，揭示了RuO$_2$作为中等关联费米液体的电荷与热输运特性，与实验取得半定量一致，并指出电子热电阻率的差异，探索了电子-声子散射机制。
AI 中文摘要
RuO$_2$是一种多轨道费米液体，近期已有一系列互补的实验测量结果可用，使其成为定量多体电子结构理论的严格测试平台。利用现实的动力学平均场计算，我们计算了RuO$_2$在顺磁态下的光谱和输运性质。我们将RuO$_2$确定为中等关联的费米液体，并在其光学电导率、电阻率和热电功率方面与实验取得了（半）定量的一致性。这种跨互补可观测量的广泛一致性建立了对RuO$_2$的“精确”多体描述，并允许将剩余差异识别为对理论的有意义检验。特别是，计算出的电子热电阻率显著低于实验推断的低温热电阻率，这提出了关于费米液体区域中电荷和热流相对弛豫的一个重要谜题。我们探索了低温电子-声子散射作为解决这一差异的可能机制，而完全定量的描述仍然是一个开放问题。更广泛地说，我们的结果展示了将精确DFT+DMFT计算与互补实验探针相结合，以构建并严格测试关联量子材料定量描述的能力。
英文摘要
RuO$_2$ is a multi-orbital Fermi liquid for which an array of complementary experimental measurements has recently become available, making it a stringent testbed for quantitative many-body electronic structure theory. Using realistic dynamical mean-field calculations, we compute the spectroscopic and transport properties of RuO$_2$ in the paramagnetic state. We identify RuO$_2$ as a moderately correlated Fermi liquid and obtain (semi-)quantitative agreement with experiment for its optical conductivity, electrical resistivity, and thermopower. This broad agreement across complementary observables establishes a ``precision'' many-body description of RuO$_2$ and allows remaining discrepancies to be identified as meaningful tests of the theory. In particular, the calculated electronic thermal resistivity significantly undershoots the experimentally inferred low-temperature thermal resistivity, raising an important puzzle concerning the relative relaxation of charge and heat currents in the Fermi liquid regime. We explore low-temperature electron-phonon scattering as a possible mechanism for resolving this discrepancy, while a fully quantitative description remains an open problem. More broadly, our results demonstrate the power of combining precision DFT+DMFT calculations with complementary experimental probes to build and critically test quantitative descriptions of correlated quantum materials.
Commentsmain: 12 pages, 5 figures; supplement: 6 pages, 6 figures
