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Type-II Dirac nodal chain semimetal CrB4 |
| Xiao-Yao Hou(侯逍遥)1,2,3, Ze-Feng Gao(高泽峰)1,2, Peng-Jie Guo(郭朋杰)1,2,†, Jian-Feng Zhang(张建丰)4,‡, and Zhong-Yi Lu(卢仲毅)1,2,5,§ |
1 School of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials & Micro-nano Devices. Renmin University of China, Beijing 100872, China;
2 Key Laboratory of Quantum State Construction and Manipulation (Ministry of Education), Renmin University of China, Beijing 100872, China;
3 School of Physics and Engineering, Henan University of Science and Technology, Luoyang 471023, China;
4 Center for High Pressure Science & Technology Advanced Research, Beijing 100094, China;
5 Hefei National Laboratory, Hefei 230088, China |
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Abstract Dirac nodal line semimetals with topologically protected drumhead surface states have attracted intense theoretical and experimental attention over a decade. However, the study of type-II Dirac nodal line semimetals is rare, especially the type-II nodal chain semimetals have not been confirmed by experiment due to the lack of ideal material platform. In this study, based on symmetry analysis and the first-principles electronic structure calculations, we predict that CrB4 is an ideal type-II Dirac nodal chain semimetal protected by the mirror symmetry. Moreover, there are two nodal rings protected by both space-inversion and time-reversal symmetries in CrB4. More importantly, in CrB4 the topologically protected drumhead surface states span the entire Brillouin zone at the Fermi level. Considering the fact that CrB4 has been synthesized experimentally and the spin-orbit coupling is very weak, CrB4 provides an ideal material platform for studying the exotic properties of type-II Dirac nodal chain semimetals in experiment.
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Received: 23 September 2025
Revised: 17 October 2025
Accepted manuscript online: 24 October 2025
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PACS:
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73.20.At
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(Surface states, band structure, electron density of states)
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71.20.-b
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(Electron density of states and band structure of crystalline solids)
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71.90.+q
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(Other topics in electronic structure)
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75.70.Tj
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(Spin-orbit effects)
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| Fund: This work was financially supported by the National Natural Science Foundation of China (Grant Nos. 11934020, 12204533, 62476278, and 62206299), the Fundamental Research Funds for the Central Universities, and the Research Funds of Renmin University of China (Grant No. 24XNKJ15), and the Innovation Program for Quantum Science and Technology (Grant No. 2021ZD0302402). |
Corresponding Authors:
Peng-Jie Guo, Jian-Feng Zhang, Zhong-Yi Lu
E-mail: guopengjie@ruc.edu.cn;jianfeng.zhang@hpstar.ac.cn;zlu@ruc.edu.cn
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Cite this article:
Xiao-Yao Hou(侯逍遥), Ze-Feng Gao(高泽峰), Peng-Jie Guo(郭朋杰), Jian-Feng Zhang(张建丰), and Zhong-Yi Lu(卢仲毅) Type-II Dirac nodal chain semimetal CrB4 2026 Chin. Phys. B 35 017301
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