论文标题
合作互动管理极性金属CA $ _3 $ ru $ _2 $ o $ $ _7 $
Cooperative Interactions Govern the Fermiology of the Polar Metal Ca$_3$Ru$_2$O$_7$
论文作者
论文摘要
反铁磁性Ruddlesden-Popper鲜苯甲酸ca $ _3 $ ru $ _2 $ o $ _7 $是一种模型极性金属，将反转对称性破坏与金属电导率结合在一起；但是，尽管进行了许多测量和理论研究，但其低温（$ t <48 $ K）的晶体结构和费米表面拓扑仍然模棱两可。在这里，我们执行具有静态相关性和角度分辨的光电光谱实验的第一原理计算，以构建一个CA $ _3 $ ru $ _2 $ o $ $ $ $ _7 $的完整模型，在电气传输，热电仪以及动量和能量分辨的频带分散的解释之间和解不一致之处。该解决方案依靠处理库仑排斥，磁性排序，旋转轨道相互作用以及RUO $ _6 $八面体的自由度。 For temperatures $30<T < 48$ K, we propose weak electron-electron interactions produce a symmetry-preserving metal-semimetal transition with Weyl nodes in proximity to the Fermi level, whereas a new orthorhombic $Pn2_1a$ structure emerges for $T<30$ K, exhibiting charge and spin density waves from enhanced Coulombic interactions.
The antiferromagnetic Ruddlesden-Popper ruthenate Ca$_3$Ru$_2$O$_7$ is a model polar metal, combining inversion symmetry breaking with metallic conductivity; however, its low temperature ($T < 48$ K) crystal structure and Fermi surface topology remain ambiguous despite numerous measurements and theoretical studies. Here we perform both first principles calculations with static correlations and angle resolved photoelectron spectroscopy experiments to construct a complete model of Ca$_3$Ru$_2$O$_7$, reconciling inconsistencies among interpretations of electrical transport, thermopower measurements, and momentum- and energy-resolved band dispersions. The solution relies on treating the interplay among Coulomb repulsion, magnetic ordering, spin-orbit interactions, and the RuO$_6$ octahedral degrees-of-freedom on equal footing. For temperatures $30<T < 48$ K, we propose weak electron-electron interactions produce a symmetry-preserving metal-semimetal transition with Weyl nodes in proximity to the Fermi level, whereas a new orthorhombic $Pn2_1a$ structure emerges for $T<30$ K, exhibiting charge and spin density waves from enhanced Coulombic interactions.
