论文标题
CERH中的压力依赖性电子结构$ _6 $ GE $ _4 $
Pressure Dependent Electronic Structure in CeRh$_6$Ge$_4$
论文作者
论文摘要
使用最先进的动态平均场理论与密度功能理论方法结合使用，我们对铁电磁量子的温度和压力依赖性电子结构进行了系统的研究，这些量子量子批判材料候选cerh $ _6 $ ge $ _4 $。在-3.9 GPA和-8.3 GPA，CE-4 $ F $职业变化，局部磁敏感性和低频电子自能力行为表明CE-4 $ F $电子处于本地化状态；而在6.5 GPA和13.1 GPA时，这些数量表明CE-4 $ f $电子处于巡回状态。释放外部压力后，与连贯的近藤筛查相关的特征温度逐渐抑制至0.8 GPa，这表明局部量子临界点。有趣的是，动量分辨的光谱函数表明，即使在本地化状态，高度各向异性$ \ mathbf {k} $ - CE-4 $ f $之间的依赖性杂交和传导电子仍然沿着$γ$ -a存在，从而导致介于介于两者之间的杂交差距。该计算预测局部矩侧的8张费米表面纸，在昆多连贯状态下有6张。最后，在0.8 GPA处的自我能量可以通过边缘费米 - 液体形式很好地适合，从而产生线性依赖性电阻率。
Using the state-of-art dynamical mean-field theory combined with density functional theory method, we have performed systematic study on the temperature and pressure dependent electronic structure of ferromagnetic quantum critical material candidate CeRh$_6$Ge$_4$. At -3.9 GPa and -8.3 GPa, the Ce-4$f$ occupation variation, the local magnetic susceptibility, and the low-frequency electronic self-energy behaviors suggest the Ce-4$f$ electrons are in the localized state; whereas at 6.5 GPa and 13.1 GPa, these quantities indicate the Ce-4$f$ electrons are in the itinerant state. The characteristic temperatures associated with the coherent Kondo screening is gradually suppressed to 0 around 0.8 GPa upon releasing external pressure, indicative of a local quantum critical point. Interestingly, the momentum-resolved spectrum function shows that even at the localized state side, highly anisotropic $\mathbf{k}$-dependent hybridization between Ce-4$f$ and conduction electrons is still present along $Γ$-A, causing hybridization gap in between. The calculations predict 8 Fermi surface sheets at the local-moment side and 6 sheets at the Kondo coherent state. Finally, the self-energy at 0.8 GPa can be well fitted by marginal Fermi-liquid form, giving rise to a linearly temperature dependent resistivity.
