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Intertwining of Magnetism and Charge Ordering in Kagome FeGe.

Sen ShaoJia-Xin YinIlya BelopolskiJing-Yang YouTao HouHongyu ChenYuxiao JiangMd Shafayat HossainMohammad YahyaviChia-Hsiu HsuYuan-Ping FengArun BansilM Zahid HasanGuoqing Chang
Published in: ACS nano (2023)
Recent experiments report a charge density wave (CDW) in the antiferromagnet FeGe, but the nature of the charge ordering and the associated structural distortion remains elusive. We discuss the structural and electronic properties of FeGe. Our proposed ground state phase accurately captures atomic topographies acquired by scanning tunneling microscopy. We show that the 2 × 2 × 1 CDW likely results from the Fermi surface nesting of hexagonal-prism-shaped kagome states. FeGe is found to exhibit distortions in the positions of the Ge atoms instead of the Fe atoms in the kagome layers. Using in-depth first-principles calculations and analytical modeling, we demonstrate that this unconventional distortion is driven by the intertwining of magnetic exchange coupling and CDW interactions in this kagome material. The movement of Ge atoms from their pristine positions also enhances the magnetic moment of the Fe kagome layers. Our study indicates that magnetic kagome lattices provide a material candidate for exploring the effects of strong electronic correlations on the ground state and their implications for transport, magnetic, and optical responses in materials.
Keyphrases
  • molecularly imprinted
  • solar cells
  • high resolution
  • optical coherence tomography
  • density functional theory
  • high throughput
  • metal organic framework
  • electron transfer