arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2403.04097cond-mat.str-elcond-mat.supr-con
收藏

SmCoIn$_5$费米能级附近$f$与$d$态的平带杂化

Flat-band hybridization between $f$ and $d$ states near the Fermi energy of SmCoIn$_5$

David W. Tam, Nicola Colonna, Fatima Alarab, Vladimir N. Strocov, Dariusz Jakub Gawryluk, Ekaterina Pomjakushina, Michel Kenzelmann

AI总结:

本研究通过ARPES和DFT+U揭示SmCoIn$_5$中Co $d$态平带及Sm $4f$态杂化,为“115”材料中磁性与超导基态提供微观机制。

摘要:

我们展示了SmCoIn$_5$的高质量角分辨光电子能谱(ARPES)和密度泛函理论计算(DFT+U)。我们发现与先前发表的LaCoIn$_5$和CeCoIn$_5$研究结果大体一致,证实Sm $4f$电子大部分是局域的。然而,我们的模型与一个额外的离域Sm组分一致,该组分源于$4f$电子与布里渊区中“热点”位置的金属带之间的杂化。主要热点称为$γ_Z$,类似于先前对CeCoIn$_5$的实验和理论研究中发现的离域$f$态来源。在这项工作中,我们识别并聚焦于Co $d$态在探索SmCoIn$_5$中重准粒子与磁相互作用关系中的作用,这些相互作用导致从中间价态情景中出现磁有序基态。具体而言,我们在$E=-0.7$ eV附近发现了一个由Co $d$态组成的全局平带,表明通过Co层中的局域化,“115”族材料中电子和磁相互作用增强的可能性,并讨论了几何阻挫的可能起源。我们还表明,离域的Sm $4f$态可以直接与Co $3d_{xz}$/$3d_{yz}$轨道杂化,这发生在我们的模型中布里渊区边界点$R$处的一个局部平带中,该带从上方接触费米能级。我们的工作识别了“115”材料中超出RKKY机制的额外磁相互作用的微观成分,并强烈表明Co $d$带是形成磁性和超导基态的重要成分。

英文摘要:

We present high-quality angle-resolved photoemission (ARPES) and density functional theory calculations (DFT+U) of SmCoIn$_5$. We find broad agreement with previously published studies of LaCoIn$_5$ and CeCoIn$_5$, confirming that the Sm $4f$ electrons are mostly localized. Nevertheless, our model is consistent with an additional delocalized Sm component, stemming from hybridization between the $4f$ electrons and the metallic bands at "hot spot" positions in the Brillouin zone. The dominant hot spot, called $γ_Z$, is similar to a source of delocalized $f$ states found in previous experimental and theoretical studies of CeCoIn$_5$. In this work, we identify and focus on the role of the Co $d$ states in exploring the relationship between heavy quasiparticles and the magnetic interactions in SmCoIn$_5$, which lead to a magnetically ordered ground state from within an intermediate valence scenario. Specifically, we find a globally flat band consisting of Co $d$ states near $E=-0.7$ eV, indicating the possibility of enhanced electronic and magnetic interactions in the "115" family of materials through localization in the Co layer, and we discuss a possible origin in geometric frustration. We also show that the delocalized Sm $4f$ states can hybridize directly with the Co $3d_{xz}$/$3d_{yz}$ orbitals, which occurs in our model at the Brillouin zone boundary point $R$ in a band that is locally flat and touches the Fermi level from above. Our work identifies microscopic ingredients for additional magnetic interactions in the "115" materials beyond the RKKY mechanism, and strongly suggests that the Co $d$ bands are an important ingredient in the formation of both magnetic and superconducting ground states.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑