Lattice dynamics study of electron-correlation-induced charge density wave in antiferromagnetic kagome metal FeGe
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arXiv
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| Main Authors: | , , , , , , , |
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| Format: | Preprint |
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2024
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| _version_ | 1866916708101390336 |
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| author | Ptok, Andrzej Basak, Surajit Kobiałka, Aksel Sternik, Małgorzata Łażewski, Jan Jochym, Paweł T. Oleś, Andrzej M. Piekarz, Przemysław |
| author_facet | Ptok, Andrzej Basak, Surajit Kobiałka, Aksel Sternik, Małgorzata Łażewski, Jan Jochym, Paweł T. Oleś, Andrzej M. Piekarz, Przemysław |
| contents | Electron-correlation-driven phonon soft modes have been recently reported in the antiferromagnetic kagome FeGe compound and associated with the observed charge density wave (CDW). In this paper, we present a systematic investigation of the CDW origin in the context of the ab initio lattice dynamics study. Performing the group theory analysis of the mentioned soft mode, we found that the stable structure has the Immm symmetry and can be achieved by shifts of Ge atoms. Additionally, we show that the final structure realizes a distorted honeycomb Ge lattice as well as a non-flat kagome-like Fe net. For completeness, we present the electronic properties calculations. From the theoretical STM topography simulation, we indicate that the observed CDW occurs in the deformed honeycomb Ge sublattice. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2403_00297 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Lattice dynamics study of electron-correlation-induced charge density wave in antiferromagnetic kagome metal FeGe Ptok, Andrzej Basak, Surajit Kobiałka, Aksel Sternik, Małgorzata Łażewski, Jan Jochym, Paweł T. Oleś, Andrzej M. Piekarz, Przemysław Materials Science Strongly Correlated Electrons Electron-correlation-driven phonon soft modes have been recently reported in the antiferromagnetic kagome FeGe compound and associated with the observed charge density wave (CDW). In this paper, we present a systematic investigation of the CDW origin in the context of the ab initio lattice dynamics study. Performing the group theory analysis of the mentioned soft mode, we found that the stable structure has the Immm symmetry and can be achieved by shifts of Ge atoms. Additionally, we show that the final structure realizes a distorted honeycomb Ge lattice as well as a non-flat kagome-like Fe net. For completeness, we present the electronic properties calculations. From the theoretical STM topography simulation, we indicate that the observed CDW occurs in the deformed honeycomb Ge sublattice. |
| title | Lattice dynamics study of electron-correlation-induced charge density wave in antiferromagnetic kagome metal FeGe |
| topic | Materials Science Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2403.00297 |