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| Auteurs principaux: | , , , , , , , , , , , , , , , , , , , , , , , |
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| Format: | Preprint |
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2024
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| Accès en ligne: | https://arxiv.org/abs/2411.03664 |
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| _version_ | 1866914388679589888 |
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| author | Shao, Sen Chiu, Wei-Chi Hou, Tao Wang, Naizhou Belopolski, Ilya Zhao, Yilin Ni, Jinyang Zhang, Qi Li, Yongkai Liu, Jinjin Yahyavi, Mohammad Jin, Yuanjun Feng, Qiange Cui, Peiyuan Zhang, Cheng-Long Yao, Yugui Wang, Zhiwei Yin, Jia-Xin Xu, Su-Yang Ma, Qiong Gao, Wei-bo Hossain, Md Shafayat Bansil, Arun Chang, Guoqing |
| author_facet | Shao, Sen Chiu, Wei-Chi Hou, Tao Wang, Naizhou Belopolski, Ilya Zhao, Yilin Ni, Jinyang Zhang, Qi Li, Yongkai Liu, Jinjin Yahyavi, Mohammad Jin, Yuanjun Feng, Qiange Cui, Peiyuan Zhang, Cheng-Long Yao, Yugui Wang, Zhiwei Yin, Jia-Xin Xu, Su-Yang Ma, Qiong Gao, Wei-bo Hossain, Md Shafayat Bansil, Arun Chang, Guoqing |
| contents | Chiral charge density waves (CDWs) have attracted intense interest due to their exotic quantum properties, yet the microscopic origin of structural chirality emerging from correlated charge order remains elusive. Here, we reveal that the interlayer phases of CDW wave vectors, an overlooked degree of freedom, play a crucial role in driving chiral structural displacements in layered CDW materials. By explicitly incorporating the interlayer phases in first-principles calculations, we successfully obtained the chiral structure of the CDW phases of AV$_3$Sb$_5$ (A= K, Rb, and Cs) and 1T-TiSe$_2$. The electronic and optical properties of the predicted chiral structures are consistent with experimental measurements of these materials in their CDW phases. We further predict that 1T-NbSe$_2$ is a promising material candidate for realizing chiral CDW order. Beyond materials prediction, our theory reveals that the chiral CDW can be manipulated by electron filling. Our study opens new avenues for discovering, designing, and engineering chiral CDW materials. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2411_03664 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Interlayer Charge-density-wave Vector Phase Induced Structural Chirality Shao, Sen Chiu, Wei-Chi Hou, Tao Wang, Naizhou Belopolski, Ilya Zhao, Yilin Ni, Jinyang Zhang, Qi Li, Yongkai Liu, Jinjin Yahyavi, Mohammad Jin, Yuanjun Feng, Qiange Cui, Peiyuan Zhang, Cheng-Long Yao, Yugui Wang, Zhiwei Yin, Jia-Xin Xu, Su-Yang Ma, Qiong Gao, Wei-bo Hossain, Md Shafayat Bansil, Arun Chang, Guoqing Materials Science Chiral charge density waves (CDWs) have attracted intense interest due to their exotic quantum properties, yet the microscopic origin of structural chirality emerging from correlated charge order remains elusive. Here, we reveal that the interlayer phases of CDW wave vectors, an overlooked degree of freedom, play a crucial role in driving chiral structural displacements in layered CDW materials. By explicitly incorporating the interlayer phases in first-principles calculations, we successfully obtained the chiral structure of the CDW phases of AV$_3$Sb$_5$ (A= K, Rb, and Cs) and 1T-TiSe$_2$. The electronic and optical properties of the predicted chiral structures are consistent with experimental measurements of these materials in their CDW phases. We further predict that 1T-NbSe$_2$ is a promising material candidate for realizing chiral CDW order. Beyond materials prediction, our theory reveals that the chiral CDW can be manipulated by electron filling. Our study opens new avenues for discovering, designing, and engineering chiral CDW materials. |
| title | Interlayer Charge-density-wave Vector Phase Induced Structural Chirality |
| topic | Materials Science |
| url | https://arxiv.org/abs/2411.03664 |