中国物理B ›› 2025, Vol. 34 ›› Issue (2): 27403-027403.doi: 10.1088/1674-1056/ada432

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Possible coexistence of superconductivity and topological electronic states in 1T-RhSeTe

Tengdong Zhang(张腾东)1,†, Rui Fan(樊睿)1,†, Yan Gao(高炎)1, Yanling Wu(吴艳玲)1, Xiaodan Xu(徐晓丹)1, Dao-Xin Yao(姚道新)2,‡, and Jun Li(李军)1,§   

  1. 1 Hebei Key Laboratory of Microstructural Material Physics, School of Science, Yanshan University, Qinhuangdao 066004, China;
    2 State Key Laboratory of Optoelectronic Materials and Technologies, Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices, School of Physics, Sun Yat-Sen University, Guangzhou 510275, China
  • 收稿日期:2024-10-14 修回日期:2024-12-26 接受日期:2024-12-31 出版日期:2025-02-15 发布日期:2025-01-15
  • 通讯作者: Dao-Xin Yao, Jun Li E-mail:yaodaox@mail.sysu.edu.cn;ljcj007@ysu.edu.cn
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No. 12204400), Science Research Project of Hebei Education Department (Grant No. QN2022169), the Natural Science Foundation of Hebei Province (Grant Nos. A2022203010 and A2024203011), and Innovation Capability Improvement Project of Hebei Province (Grant No. 22567605H).

Possible coexistence of superconductivity and topological electronic states in 1T-RhSeTe

Tengdong Zhang(张腾东)1,†, Rui Fan(樊睿)1,†, Yan Gao(高炎)1, Yanling Wu(吴艳玲)1, Xiaodan Xu(徐晓丹)1, Dao-Xin Yao(姚道新)2,‡, and Jun Li(李军)1,§   

  1. 1 Hebei Key Laboratory of Microstructural Material Physics, School of Science, Yanshan University, Qinhuangdao 066004, China;
    2 State Key Laboratory of Optoelectronic Materials and Technologies, Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices, School of Physics, Sun Yat-Sen University, Guangzhou 510275, China
  • Received:2024-10-14 Revised:2024-12-26 Accepted:2024-12-31 Online:2025-02-15 Published:2025-01-15
  • Contact: Dao-Xin Yao, Jun Li E-mail:yaodaox@mail.sysu.edu.cn;ljcj007@ysu.edu.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No. 12204400), Science Research Project of Hebei Education Department (Grant No. QN2022169), the Natural Science Foundation of Hebei Province (Grant Nos. A2022203010 and A2024203011), and Innovation Capability Improvement Project of Hebei Province (Grant No. 22567605H).

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摘要： Transition metal dichalcogenides (TMDs), exhibit a range of crystal structures and topological quantum states. The 1T phase, in particular, shows promise for superconductivity driven by electron-phonon coupling (EPC), strain, pressure, and chemical doping. In this theoretical investigation, we explore 1T-RhSeTe as a novel type of TMD superconductor with topological electronic states. The optimal doping structure and atomic arrangement of 1T-RhSeTe are constructed. Phonon spectrum calculations validate the integrity of the constructed doping structure. The analysis of the electron-phonon coupling using the electron-phonon Wannier (EPW) method has confirmed the existence of a robust electron-phonon interaction in 1T-RhSeTe, resulting in total EPC constant $\lambda = 2.02$, the logarithmic average frequency $\omega_{\rm log} = 3.15$ meV and $T_{\rm c} = 4.61$ K, consistent with experimental measurements and indicative of its classification as a BCS superconductor. The band structure analysis revealed the presence of Dirac-like band crossing points. The topological non-trivial electronic structures of the 1T-RhSeTe are confirmed via the evolution of Wannier charge centers (WCCs) and time-reversal symmetry-protected topological surface states (TSSs). These distinctive properties underscore 1T-RhSeTe as a possible candidate for a topological superconductor, warranting further investigation into its potential implications and applications.

关键词: superconductivity, topological electronic state, transition metal dichalcogenides

Abstract: Transition metal dichalcogenides (TMDs), exhibit a range of crystal structures and topological quantum states. The 1T phase, in particular, shows promise for superconductivity driven by electron-phonon coupling (EPC), strain, pressure, and chemical doping. In this theoretical investigation, we explore 1T-RhSeTe as a novel type of TMD superconductor with topological electronic states. The optimal doping structure and atomic arrangement of 1T-RhSeTe are constructed. Phonon spectrum calculations validate the integrity of the constructed doping structure. The analysis of the electron-phonon coupling using the electron-phonon Wannier (EPW) method has confirmed the existence of a robust electron-phonon interaction in 1T-RhSeTe, resulting in total EPC constant $\lambda = 2.02$, the logarithmic average frequency $\omega_{\rm log} = 3.15$ meV and $T_{\rm c} = 4.61$ K, consistent with experimental measurements and indicative of its classification as a BCS superconductor. The band structure analysis revealed the presence of Dirac-like band crossing points. The topological non-trivial electronic structures of the 1T-RhSeTe are confirmed via the evolution of Wannier charge centers (WCCs) and time-reversal symmetry-protected topological surface states (TSSs). These distinctive properties underscore 1T-RhSeTe as a possible candidate for a topological superconductor, warranting further investigation into its potential implications and applications.

Key words: superconductivity, topological electronic state, transition metal dichalcogenides

中图分类号:  (Superconducting materials other than cuprates)

  • 74.70.-b
63.20.kd (Phonon-electron interactions) 73.20.At (Surface states, band structure, electron density of states) 74.62.Dh (Effects of crystal defects, doping and substitution) 71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)