论文标题
SR $ _2 $ MOO $ _4 $和SR $ _2 $ ruo $ _4 $：删除Hund's和Van Hove Physics的角色
Sr$_2$MoO$_4$ and Sr$_2$RuO$_4$: Disentangling the Roles of Hund's and van Hove Physics
论文作者
论文摘要
SR $ _2 $ MOO $ _4 $是非常规超导体SR $ _2 $ ruo $ _4 $的等值结构，但是有两个电子，而不是Mo/ru-t $ _ {2G} $ orbitals中的两个孔。两种材料都是Hund的金属，但是Sr $ _2 $ ruo $ _4 $具有货车霍夫的奇异性，靠近费米表面，但van hove sr $ $ _2 $ _4 $ _4 $的van Hove奇异性远离费米表面。通过使用密度功能加上动态平均场理论，我们确定了Van Hove和Hund金属物理学对相关性能的相对影响。我们表明，理论上预测的Hund金属物理学的签名出现在Sr $ _2 $ _2 $ MOO $ _4 $的电子光谱的占用方面，识别SR $ _2 $ _4 $ _4 $作为理想的候选系统，是对Hund Metalssals Metalssions Secusion Secusion Spectrroscophy of Hund Metalsals概念的直接实验确认。
Sr$_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.
