We compare the trends on the strength of electronic correlations across the different phases of elemental Pu focusing on its site and orbital dependence, using a combination of density functional theory (DFT) and dynamical mean field theory (DMFT) calculations within the vertex corrected one crossing approximation. We find that Pu-5$f$ states are more correlated in $δ$-Pu, followed by some crystallographic sites in $α$ and $β$ phases. In addition, we observe that Pu-5$f_{5/2}$ and Pu-5$f_{7/2}$ orbital differentiation is a general feature of this material, as is site differentiation in the low symmetry phases. The Pu-5$f_{5/2}$ states show Fermi liquid like behavior whereas the Pu-5$f_{7/2}$ states remaining incoherent down to very low temperatures. We correlate the correlation strength in the different phases to their structure and the Pu-5$f$ occupancy of their crystallographic sites.
Hall coefficient signals orbital differentiation in the Hund's metal Sr$_2$RuO$_4$
Sr $_2$ RuO $_4$的霍尔系数$R_H$呈现出两个符号反转的非单调温度依赖性。我们表明,这种令人费解的行为是两个交叉的签名,这是关键的物理材料。$R_H$的增加和冷却后的第一个符号变化与进入相干准粒子制度的交叉相关,该制度具有强的非弹性散射率的轨道分化。在较低温度下的最终减少和第二个符号变化是由从非弹性散射到杂质主导散射的交叉驱动的。这种定性的图片支持的定量计算$R_H(T)$使用玻尔兹曼输运理论结合动力学平均场论,考虑到自旋轨道耦合的影响。我们的见解揭示了霍尔系数的温度依赖性强轨道分化的材料,在洪德的金属中观察到的。
Orbital-specific Itinerancy and Localization in a Kagome Magnet
Institute of Metal Physics(金属物理研究所);Ural Federal University(乌拉尔联邦大学);National Synchrotron Radiation Research Center(国家同步辐射研究中心);National Tsing Hua University(国立清华大学);Rutgers University(罗格斯大学)
Electronic structure and magnetic tendencies of trilayer La$_4$Ni$_3$O$_{10}$ under pressure: structural transition, molecular orbitals, and layer differentiation
Ab initio Evidence for Strong Correlation Associated with Mott Proximity in Iron-based Superconductors
我们预测,发现的铁基超导体附近的d6配置(5 Fe 3d轨道填充6个电子)位于一个意想不到的大圆顶的相关电子物质在d5(即,半填充)的莫特绝缘体为中心的脚。这是基于多变量变分蒙特卡罗从头算低能量模型的结果推导的向下折叠。D5莫特接近延伸到随后出现的非相干金属,轨道微分由于莫特物理和洪德规则耦合,其次是反铁磁量子临界,根据现有的实验定量。
Correlation-driven enhancement of pairing in a nematic Hund's metal
Budapest University of Technology and Economics(布达佩斯技术与经济大学);HUN-REN-BME-BCE Quantum Technology Research Group(匈牙利研究与创新网络-布达佩斯技术与经济大学-布达佩斯理工大学量子技术研究组);Istituto dei Sistemi Complessi (ISC-CNR)(复杂系统研究所)
Many-Body Amplification of Ligand Instabilities Driving Verwey-Type Transitions in Altermagnet CsCr$_2$S$_2$O
University of Science and Technology of China(中国科学技术大学);Hefei National Laboratory(合肥国家实验室);New Cornerstone Science Laboratory, University of Science and Technology of China(中国科学技术大学新Cornerstone科学实验室)
Site-polarized Mott phases competing with a correlated metal in twisted WSe$_2$
University of Hamburg(汉堡大学);The Hamburg Centre for Ultrafast Imaging(汉堡超快成像中心);University of Würzburg(维尔茨堡大学);Max Planck Institute for the Structure and Dynamics of Matter(物质结构与动力学马普研究所);RWTH Aachen University(亚琛工业大学);Center for Computational Quantum Physics, Flatiron Institute(平顿研究所计算量子物理中心);Tsientang Institute for Advanced Study, Zhejiang(浙江大学前沿技术研究院(紫江));Songshan Lake Materials Laboratory(松山湖材料实验室)