| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Theory for Charge Density Wave and Orbital-Flux State in Antiferromagnetic Kagome Metal FeGe |
| Hai-Yang Ma1,2,3, Jia-Xin Yin4, M. Zahid Hasan4,5,6, and Jianpeng Liu1,2,7* |
1School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China
2ShanghaiTech Laboratory for Topological Physics, ShanghaiTech University, Shanghai 201210, China
3Quantum Science Center of Guangdong-HongKong-Macao Greater Bay Area, Shenzhen 518045, China
4Laboratory for Topological Quantum Matter and Advanced Spectroscopy (B7), Department of Physics, Princeton University, Princeton, New Jersey 08544, USA
5Princeton Institute for Science and Technology of Materials, Princeton University, Princeton, New Jersey 08544, USA
6Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
7Liaoning Academy of Materials, Shenyang 110167, China
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| Cite this article: |
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Hai-Yang Ma, Jia-Xin Yin, M. Zahid Hasan et al 2024 Chin. Phys. Lett. 41 047103 |
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Abstract We theoretically study the charge order and orbital magnetic properties of a new type of antiferromagnetic kagome metal FeGe. Based on first-principles density functional theory calculations, we study the electronic structures, Fermi-surface quantum fluctuations, as well as phonon properties of the antiferromagnetic kagome metal FeGe. It is found that charge density wave emerges in such a system due to a subtle cooperation between electron–electron interactions and electron–phonon couplings, which gives rise to an unusual scenario of interaction-triggered phonon instabilities, and eventually yields a charge density wave (CDW) state. We further show that, in the CDW phase, the ground-state current density distribution exhibits an intriguing star-of-David pattern, leading to flux density modulation. The orbital fluxes (or current loops) in this system emerge as a result of the subtle interplay between magnetism, lattice geometries, charge order, and spin-orbit coupling (SOC), which can be described by a simple, yet universal, tight-binding theory including a Kane–Mele-type SOC term and a magnetic exchange interaction. We further study the origin of the peculiar step-edge states in FeGe, which sheds light on the topological properties and correlation effects in this new type of kagome antiferromagnetic material.
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Received: 25 January 2024
Express Letter
Published: 01 April 2024
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| PACS: |
71.10.-w
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(Theories and models of many-electron systems)
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71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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71.45.Lr
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(Charge-density-wave systems)
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