Sr $_2$ MoO PDMATHAAC和Sr $_2$ RuO $_4$：解开洪德物理学和范霍夫物理学的角色
Sr$_2$MoO$_4$ and Sr$_2$RuO$_4$: Disentangling the Roles of Hund's and van Hove Physics
摘要：
Sr $_2$ MoO $_4$与非常规超导体Sr $_2$ RuO $_4$同构，但在Mo/Ru-t $_{2g}$轨道上有两个电子而不是两个空穴。这两种材料都是洪德金属，但是Sr $_2$ RuO $_4$在费米面附近具有范霍夫奇点，而Sr $_2$ MoO $_4$的范霍夫奇点远离费米面。利用密度泛函加动力学平均场论，我们确定了van Hove和Hund的金属物理对关联性质的相对影响。我们表明，理论上预测的签名洪德的金属物理发生在被占领的一侧的电子光谱的Sr $_2$钼$_4$，识别Sr $_2$钼$_4$作为一个理想的候选系统的理论概念，洪德的金属通过光电子能谱的直接实验确认。
英文摘要：
Sr$_2$MoO$_4$ is isostructural to the unconventional superconductor Sr$_2$RuO$_4$ but with two electrons instead of two holes in the Mo/Ru-t$_{2g}$ orbitals. Both materials are Hund's metals, but while Sr$_2$RuO$_4$ has a van Hove singularity in close proximity to the Fermi surface, the van Hove singularity of Sr$_2$MoO$_4$ is far from the Fermi surface. By using density functional plus dynamical mean-field theory we determine the relative influence of van Hove and Hund's metal physics on the correlation properties. We show that theoretically predicted signatures of Hund's metal physics occur on the occupied side of the electronic spectrum of Sr$_2$MoO$_4$, identifying Sr$_2$MoO$_4$ as an ideal candidate system for a direct experimental confirmation of the theoretical concept of Hund's metals via photoemission spectroscopy.
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