标题： 电子关联和赫恩斯极化金属SrEuMo$_2$O$_6$中的屏蔽效应 显示英文标题

标题： Electronic correlations and screening effects in the Hund's polar metal SrEuMo$_2$O$_6$

摘要： 基于密度泛函理论和动力学平均场理论的第一性原理方法，我们研究了新型极性金属SrEuMo$_2$O$_6$的电子性质。其电子结构与中心对称的SrMoO$_3$和EuMoO$_3$相似，因此可以认为它是这些物质的有序衍生物，但二价阳离子和氧阴离子的类似铁电的畸变通过金属态中的非谐晶格相互作用破坏了反演对称性。我们发现，洪德耦合由于Mo$^{4+}$$d^{2}$的电子构型促进了电子关联效应，产生了一个远离莫特态的相关金属相。通过重整化的准粒子，金属性和极性畸变之间的矛盾得到了缓解，这些准粒子无法完全屏蔽有序的局部偶极子。 显示英文摘要

摘要： Using a first-principles approach based on density functional theory and dynamical mean field theory, we study the electronic properties of a new candidate polar metal SrEuMo$_2$O$_6$. Its electronic structure shares similarities with centrosymmetric SrMoO$_3$ and EuMoO$_3$, from which it may be considered an ordered derivative, but ferroelectric-like distortions of the divalent cations and oxygen anions lift inversion symmetry mediated by an anharmonic lattice interaction in the metallic state. We find that Hund's coupling promotes the effects of electronic correlations owing to the Mo$^{4+}$ $d^{2}$ electronic configuration, producing a correlated metallic phase far from the Mott state. The contraindication between metallicity and polar distortions is thereby alleviated through the renormalized quasiparticles, which are unable to fully screen the ordered local dipoles.