| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Electron-Correlation-Induced Charge Density Wave in FeGe |
| Lin Wu†, Yating Hu†, Dongze Fan, Di Wang*, and Xiangang Wan* |
1National Laboratory of Solid State Microstructures and School of Physics, Nanjing University, Nanjing 210093, China
2Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093, China
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| Cite this article: |
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Lin Wu, Yating Hu, Dongze Fan et al 2023 Chin. Phys. Lett. 40 117103 |
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Abstract As the first magnetic kagome material to exhibit the charge density wave (CDW) order, FeGe has attracted much attention in recent research. Similar to $A$V$_{3}$Sb$_{5}$ ($A$ = K, Cs, Rb), FeGe exhibits the CDW pattern with an in-plane 2$\times$2 structure and the existence of van Hove singularities near the Fermi level. However, sharply different from $A$V$_{3}$Sb$_{5}$ which has phonon instability at $M$ point, all the theoretically calculated phonon frequencies in FeGe remain positive. Based on first-principles calculations, we surprisingly find that the maximum of nesting function is at $K$ point instead of $M$ point. Two Fermi pockets with Fe-$d_{xz}$ and Fe-$d_{x^{2}-y^{2}}$/$d_{xy}$ orbital characters have large contribution to the Fermi nesting, which evolve significantly with $k_{z}$, indicating the highly three-dimensional (3D) feature of FeGe in contrast to $A$V$_{3}$Sb$_{5}$. Considering the effect of local Coulomb interaction, we reveal that the instability at $K$ point is significantly suppressed due to the sublattice interference mechanism. Meanwhile, the wave functions nested by vector $M$ have many ingredients located at the same Fe site, thus the instability at $M$ point is enhanced. This indicates that the electron correlation, rather than electron-phonon interaction, plays a key role in the CDW transition at $M$ point.
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Received: 29 September 2023
Express Letter
Published: 23 October 2023
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| PACS: |
71.45.Lr
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(Charge-density-wave systems)
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