Intertwining of magnetism and charge ordering in Kagome FeGe

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 t...

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Main Authors: Shao, Sen, Yin, Jia-Xin, Belopolski, Ilya, You, Jing-Yang, Hou, Tao, Chen, Hongyu, Jiang, Yu-Xiao, Md Shafayat Hossain, Mohammad Yahyavi, Hsu, Chia-Hsiu, Feng, Yuan Ping, Bansil, Arun, M. Zahid Hasan, Chang, Guoqing
Other Authors: School of Physical and Mathematical Sciences
Format: Article
Language:English
Published: 2023
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Online Access:https://hdl.handle.net/10356/168678
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spelling sg-ntu-dr.10356-1686782023-06-19T15:34:46Z Intertwining of magnetism and charge ordering in Kagome FeGe Shao, Sen Yin, Jia-Xin Belopolski, Ilya You, Jing-Yang Hou, Tao Chen, Hongyu Jiang, Yu-Xiao Md Shafayat Hossain Mohammad Yahyavi Hsu, Chia-Hsiu Feng, Yuan Ping Bansil, Arun M. Zahid Hasan Chang, Guoqing School of Physical and Mathematical Sciences Science::Physics Kagome Antiferromagnet Charge Density Wave Intertwined Orders First-Principles Calculations Crystal Structure Electronic Properties 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. Ministry of Education (MOE) Nanyang Technological University National Research Foundation (NRF) Submitted/Accepted version The work was supported by the National Research Foundation, Singapore, under its Fellowship Award (NRFNRFF13-2021-0010) and the Nanyang Technological University start-up grant (NTUSUG). Work at Princeton University was supported by the Gordon and Betty Moore Foundation (GBMF4547 and GBMF9461; M.Z.H.). J.Y.Y. and Y.P.F. are supported by the Ministry of Education, Singapore, under its MOE AcRF Tier 3 Award MOE2018-T3-1-002. The work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences Grant No. DE-SC0022216 and benefited from Northeastern University’s Advanced Scientific Computation Center and the Discovery Cluster, and the National Energy Research Scientific Computing Center through DOE Grant No. DE-AC02-05CH11231. 2023-06-15T02:26:00Z 2023-06-15T02:26:00Z 2023 Journal Article Shao, S., Yin, J., Belopolski, I., You, J., Hou, T., Chen, H., Jiang, Y., Md Shafayat Hossain, Mohammad Yahyavi, Hsu, C., Feng, Y. P., Bansil, A., M. Zahid Hasan & Chang, G. (2023). Intertwining of magnetism and charge ordering in Kagome FeGe. ACS Nano, 17(11), 10164-10171. https://dx.doi.org/10.1021/acsnano.3c00229 1936-0851 https://hdl.handle.net/10356/168678 10.1021/acsnano.3c00229 11 17 10164 10171 en NRF-NRFF13 2021-0010 NTU-SUG MOE2018-T3-1-002 ACS Nano This document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Nano, copyright © 2023 American Chemical Society, after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acsnano.3c00229. application/pdf
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
language English
topic Science::Physics
Kagome Antiferromagnet
Charge Density Wave
Intertwined Orders
First-Principles Calculations
Crystal Structure
Electronic Properties
spellingShingle Science::Physics
Kagome Antiferromagnet
Charge Density Wave
Intertwined Orders
First-Principles Calculations
Crystal Structure
Electronic Properties
Shao, Sen
Yin, Jia-Xin
Belopolski, Ilya
You, Jing-Yang
Hou, Tao
Chen, Hongyu
Jiang, Yu-Xiao
Md Shafayat Hossain
Mohammad Yahyavi
Hsu, Chia-Hsiu
Feng, Yuan Ping
Bansil, Arun
M. Zahid Hasan
Chang, Guoqing
Intertwining of magnetism and charge ordering in Kagome FeGe
description 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.
author2 School of Physical and Mathematical Sciences
author_facet School of Physical and Mathematical Sciences
Shao, Sen
Yin, Jia-Xin
Belopolski, Ilya
You, Jing-Yang
Hou, Tao
Chen, Hongyu
Jiang, Yu-Xiao
Md Shafayat Hossain
Mohammad Yahyavi
Hsu, Chia-Hsiu
Feng, Yuan Ping
Bansil, Arun
M. Zahid Hasan
Chang, Guoqing
format Article
author Shao, Sen
Yin, Jia-Xin
Belopolski, Ilya
You, Jing-Yang
Hou, Tao
Chen, Hongyu
Jiang, Yu-Xiao
Md Shafayat Hossain
Mohammad Yahyavi
Hsu, Chia-Hsiu
Feng, Yuan Ping
Bansil, Arun
M. Zahid Hasan
Chang, Guoqing
author_sort Shao, Sen
title Intertwining of magnetism and charge ordering in Kagome FeGe
title_short Intertwining of magnetism and charge ordering in Kagome FeGe
title_full Intertwining of magnetism and charge ordering in Kagome FeGe
title_fullStr Intertwining of magnetism and charge ordering in Kagome FeGe
title_full_unstemmed Intertwining of magnetism and charge ordering in Kagome FeGe
title_sort intertwining of magnetism and charge ordering in kagome fege
publishDate 2023
url https://hdl.handle.net/10356/168678
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