Exotic 4f Correlated Electronic States of Ferromagnetic Kondo Lattice Compounds ReRh$_6$Ge$_4$ (Re=Ce, Ho, Er, Tm)

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Main Authors: Wang, Caiqun, Gao, Yu, Jiang, Jun, Chen, Qiaoni, Lu, Haiyan, Qian, Ping
Format: Preprint
Published: 2024
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author Wang, Caiqun
Gao, Yu
Jiang, Jun
Chen, Qiaoni
Lu, Haiyan
Qian, Ping
author_facet Wang, Caiqun
Gao, Yu
Jiang, Jun
Chen, Qiaoni
Lu, Haiyan
Qian, Ping
contents CeRh$_6$Ge$_4$ stands out as the first stoichiometric metallic compound with a ferromagnetic quantum critical point, thereby garnering significant attention. Ferromagnetic Kondo lattice compounds ReRh$_6$Ge$_4$ (Re=Ce, Ho, Er, Tm) have been systematically investigated with density functional theory incorporating Coulomb interaction U and spin-orbital coupling. We determined the magnetic easy axis of CeRh$_6$Ge$_4$ is within the ab plane, which is in agreement with previous magnetization measurements conducted under external magnetic field and muSR experiments. We also predicted the magnetic easy axes for the other three compounds. For TmRh$_6$Ge$_4$, the magnetic easy axis aligns along the c axis, thus preserving the $C_3$ rotational symmetry of the c axis. Especially, there are triply degenerate nodal points along the $Γ-A$ direction in the band structure including spin-orbital coupling. A possible localized to itinerant crossover is revealed as $4f$ electrons increase from CeRh$_6$Ge$_4$ to TmRh$_6$Ge$_4$. Specifically, the $4f$ electrons of TmRh$_6$Ge$_4$ contribute to the formation of a large Fermi surface, indicating their participation in the conduction process. Conversely, the $4f$ electrons in HoRh$_6$Ge$_4$, ErRh$_6$Ge$_4$ and CeRh$_6$Ge$_4$ remain localized, which result in smaller Fermi surfaces for these compounds. These theoretical investigations on electronic structure and magnetic properties shed deep insight into the unique nature of $4f$ electrons, providing critical predictions for subsequent experimental studies.
format Preprint
id arxiv_https___arxiv_org_abs_2406_18965
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Exotic 4f Correlated Electronic States of Ferromagnetic Kondo Lattice Compounds ReRh$_6$Ge$_4$ (Re=Ce, Ho, Er, Tm)
Wang, Caiqun
Gao, Yu
Jiang, Jun
Chen, Qiaoni
Lu, Haiyan
Qian, Ping
Strongly Correlated Electrons
CeRh$_6$Ge$_4$ stands out as the first stoichiometric metallic compound with a ferromagnetic quantum critical point, thereby garnering significant attention. Ferromagnetic Kondo lattice compounds ReRh$_6$Ge$_4$ (Re=Ce, Ho, Er, Tm) have been systematically investigated with density functional theory incorporating Coulomb interaction U and spin-orbital coupling. We determined the magnetic easy axis of CeRh$_6$Ge$_4$ is within the ab plane, which is in agreement with previous magnetization measurements conducted under external magnetic field and muSR experiments. We also predicted the magnetic easy axes for the other three compounds. For TmRh$_6$Ge$_4$, the magnetic easy axis aligns along the c axis, thus preserving the $C_3$ rotational symmetry of the c axis. Especially, there are triply degenerate nodal points along the $Γ-A$ direction in the band structure including spin-orbital coupling. A possible localized to itinerant crossover is revealed as $4f$ electrons increase from CeRh$_6$Ge$_4$ to TmRh$_6$Ge$_4$. Specifically, the $4f$ electrons of TmRh$_6$Ge$_4$ contribute to the formation of a large Fermi surface, indicating their participation in the conduction process. Conversely, the $4f$ electrons in HoRh$_6$Ge$_4$, ErRh$_6$Ge$_4$ and CeRh$_6$Ge$_4$ remain localized, which result in smaller Fermi surfaces for these compounds. These theoretical investigations on electronic structure and magnetic properties shed deep insight into the unique nature of $4f$ electrons, providing critical predictions for subsequent experimental studies.
title Exotic 4f Correlated Electronic States of Ferromagnetic Kondo Lattice Compounds ReRh$_6$Ge$_4$ (Re=Ce, Ho, Er, Tm)
topic Strongly Correlated Electrons
url https://arxiv.org/abs/2406.18965