Type-II Dirac nodal chain semimetal CrB4

doi:10.1088/1674-1056/ae172b

中国物理B ›› 2026, Vol. 35 ›› Issue (1): 17301-017301.doi: 10.1088/1674-1056/ae172b

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

收稿日期:2025-09-23 修回日期:2025-10-17 接受日期:2025-10-24 发布日期:2025-12-30
通讯作者: Peng-Jie Guo, Jian-Feng Zhang, Zhong-Yi Lu E-mail:guopengjie@ruc.edu.cn;jianfeng.zhang@hpstar.ac.cn;zlu@ruc.edu.cn
基金资助:
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).

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

Received:2025-09-23 Revised:2025-10-17 Accepted:2025-10-24 Published:2025-12-30
Contact: Peng-Jie Guo, Jian-Feng Zhang, Zhong-Yi Lu E-mail:guopengjie@ruc.edu.cn;jianfeng.zhang@hpstar.ac.cn;zlu@ruc.edu.cn
Supported by:
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).

摘要/Abstract

摘要： 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.

关键词: type-II nodal chain semimetal, nontrivial surface states, weak spin-orbit coupling

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.

Key words: type-II nodal chain semimetal, nontrivial surface states, weak spin-orbit coupling

中图分类号: (Surface states, band structure, electron density of states)

73.20.At

71.20.-b (Electron density of states and band structure of crystalline solids) 71.90.+q (Other topics in electronic structure) 75.70.Tj (Spin-orbit effects)

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[J]. 中国物理B, 2026, 35(1): 17301-017301.

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[J]. Chin. Phys. B, 2026, 35(1): 17301-017301.

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Type-II Dirac nodal chain semimetal CrB₄

Type-II Dirac nodal chain semimetal CrB₄

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