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High-pressure phases of Weyl semimetals NbP, NbAs, TaP, and TaAs

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Abstract

In this study, we used the crystal structure search method and first-principles calculations to systematically explore the highpressure phase diagrams of the TaAs family (NbP, NbAs, TaP, and TaAs). Our calculation results show that NbAs and TaAs have similar phase diagrams, the same structural phase transition sequence I41md→P6̄m2→P21/c→Pm3̄m, and slightly different transition pressures. The phase transition sequence of NbP and TaP differs somewhat from that of NbAs and TaAs, in which new structures emerge, such as the Cmcm structure in NbP and the Pmmn structure in TaP. Interestingly, we found that in the electronic structure of the high-pressure phase P6̄m2-NbAs, there are coexistingWeyl points and triple degenerate points, similar to those found in high-pressure P6̄m2-TaAs.

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References

  1. A. Bansil, H. Lin, and T. Das, Rev. Mod. Phys. 88, 021004 (2016), arXiv: 1603.03576.

    Article  ADS  Google Scholar 

  2. C. K. Chiu, J. C. Y. Teo, A. P. Schnyder, and S. Ryu, Rev. Mod. Phys. 88, 035005 (2016), arXiv: 1505.03535.

    Article  ADS  Google Scholar 

  3. H. Weng, X. Dai, and Z. Fang, J. Phys.-Condens. Matter 28, 303001 (2016), arXiv: 1603.04744.

    Article  Google Scholar 

  4. S. M. Young, S. Zaheer, J. C. Y. Teo, C. L. Kane, E. J. Mele, and A. M. Rappe, Phys. Rev. Lett. 108, 140405 (2012), arXiv: 1111.6483.

    Article  ADS  Google Scholar 

  5. Z. Wang, Y. Sun, X. Q. Chen, C. Franchini, G. Xu, H. Weng, X. Dai, and Z. Fang, Phys. Rev. B 85, 195320 (2012).

    Article  ADS  Google Scholar 

  6. Z. Wang, H. Weng, Q. Wu, X. Dai, and Z. Fang, Phys. Rev. B 88, 125427 (2013), arXiv: 1305.6780.

    Article  ADS  Google Scholar 

  7. H. Sun, and J. Zhao, Sci. China-Phys. Mech. Astron. 59, 107011 (2016).

    Article  Google Scholar 

  8. X. Wan, A. M. Turner, A. Vishwanath, and S. Y. Savrasov, Phys. Rev. B 83, 205101 (2011), arXiv: 1007.0016.

    Article  ADS  Google Scholar 

  9. G. Xu, H. Weng, Z. Wang, X. Dai, and Z. Fang, Phys. Rev. Lett. 107, 186806 (2011), arXiv: 1106.3125.

    Article  ADS  Google Scholar 

  10. H. Weng, C. Fang, Z. Fang, B. A. Bernevig, and X. Dai, Phys. Rev. X 5, 011029 (2015), arXiv: 1501.00060.

    Google Scholar 

  11. Y. Sun, S. C. Wu, and B. Yan, Phys. Rev. B 92, 115428 (2015), arXiv: 1508.06649.

    Article  ADS  Google Scholar 

  12. C. C. Lee, S. Y. Xu, S. M. Huang, D. S. Sanchez, I. Belopolski, G. Chang, G. Bian, N. Alidoust, H. Zheng, M. Neupane, B. Wang, A. Bansil, M. Z. Hasan, and H. Lin, Phys. Rev. B 92, 235104 (2015).

    Article  ADS  Google Scholar 

  13. D. T. Son, and B. Z. Spivak, Phys. Rev. B 88, 104412 (2013), arXiv: 1206.1627.

    Article  ADS  Google Scholar 

  14. P. Hosur, and X. Qi, C. R. Phys. 14, 857 (2013), arXiv: 1309.4464.

    Article  ADS  Google Scholar 

  15. X. Huang, L. Zhao, Y. Long, P. Wang, D. Chen, Z. Yang, H. Liang, M. Xue, H. Weng, Z. Fang, X. Dai, and G. Chen, Phys. Rev. X 5, 031023 (2015), arXiv: 1503.01304.

    Google Scholar 

  16. H. B. Nielsen, and M. Ninomiya, Phys. Lett. B 130, 389 (1983).

    Article  ADS  MathSciNet  Google Scholar 

  17. H. J. Kim, K. S. Kim, J. F. Wang, M. Sasaki, N. Satoh, A. Ohnishi, M. Kitaura, M. Yang, and L. Li, Phys. Rev. Lett. 111, 246603 (2013), arXiv: 1307.6990.

    Article  ADS  Google Scholar 

  18. S. Y. Xu, I. Belopolski, N. Alidoust, M. Neupane, G. Bian, C. Zhang, R. Sankar, G. Chang, Z. Yuan, C. C. Lee, S. M. Huang, H. Zheng, J. Ma, D. S. Sanchez, B. K. Wang, A. Bansil, F. Chou, P. P. Shibayev, H. Lin, S. Jia, and M. Z. Hasan, Science 349, 613 (2015), arXiv: 1502.03807.

    Article  ADS  Google Scholar 

  19. B. Q. Lv, H. M. Weng, B. B. Fu, X. P. Wang, H. Miao, J. Ma, P. Richard, X. C. Huang, L. X. Zhao, G. F. Chen, Z. Fang, X. Dai, T. Qian, and H. Ding, Phys. Rev. X 5, 031013 (2015), arXiv: 1502.04684.

    Google Scholar 

  20. D. F. Xu, Y. P. Du, Z. Wang, Y. P. Li, X. H. Niu, Q. Yao, P. Dudin, Z. A. Xu, X. G. Wan, and D. L. Feng, Chin. Phys. Lett. 32, 107101 (2015), arXiv: 1509.03847.

    Article  ADS  Google Scholar 

  21. L. X. Yang, Z. K. Liu, Y. Sun, H. Peng, H. F. Yang, T. Zhang, B. Zhou, Y. Zhang, Y. F. Guo, M. Rahn, D. Prabhakaran, Z. Hussain, S. K. Mo, C. Felser, B. Yan, and Y. L. Chen, Nat. Phys. 11, 728 (2015).

    Article  Google Scholar 

  22. S. M. Huang, S. Y. Xu, I. Belopolski, C. C. Lee, G. Chang, B. K. Wang, N. Alidoust, G. Bian, M. Neupane, C. Zhang, S. Jia, A. Bansil, H. Lin, and M. Z. Hasan, Nat. Commun. 6, 7373 (2015).

    Article  Google Scholar 

  23. B. Q. Lv, N. Xu, H. M. Weng, J. Z. Ma, P. Richard, X. C. Huang, L. X. Zhao, G. F. Chen, C. E. Matt, F. Bisti, V. N. Strocov, J. Mesot, Z. Fang, X. Dai, T. Qian, M. Shi, and H. Ding, Nat. Phys. 11, 724 (2015), arXiv: 1503.09188.

    Article  Google Scholar 

  24. N. Xu, H. M. Weng, B. Q. Lv, C. E. Matt, J. Park, F. Bisti, V. N. Strocov, D. Gawryluk, E. Pomjakushina, K. Conder, N. C. Plumb, M. Radovic, G. Autès, O. V. Yazyev, Z. Fang, X. Dai, T. Qian, J. Mesot, H. Ding, and M. Shi, Nat. Commun. 7, 11006 (2016), arXiv: 1507.03983.

    Article  ADS  Google Scholar 

  25. Z. K. Liu, L. X. Yang, Y. Sun, T. Zhang, H. Peng, H. F. Yang, C. Chen, Y. Zhang, Y. F. Guo, D. Prabhakaran, M. Schmidt, Z. Hussain, S. K. Mo, C. Felser, B. Yan, and Y. L. Chen, Nat. Mater. 15, 27 (2016).

    Article  ADS  Google Scholar 

  26. S. Y. Xu, I. Belopolski, D. S. Sanchez, C. Zhang, G. Chang, C. Guo, G. Bian, Z. Yuan, H. Lu, T. R. Chang, P. P. Shibayev, M. L. Prokopovych, N. Alidoust, H. Zheng, C. C. Lee, S. M. Huang, R. Sankar, F. Chou, C. H. Hsu, H. T. Jeng, A. Bansil, T. Neupert, V. N. Strocov, H. Lin, S. Jia, and M. Z. Hasan, Sci. Adv. 1, e1501092 (2015), arXiv: 1508.03102.

    Article  ADS  Google Scholar 

  27. S. Y. Xu, N. Alidoust, I. Belopolski, Z. Yuan, G. Bian, T. R. Chang, H. Zheng, V. N. Strocov, D. S. Sanchez, G. Chang, C. Zhang, D. Mou, Y. Wu, L. Huang, C. C. Lee, S. M. Huang, B. K. Wang, A. Bansil, H. T. Jeng, T. Neupert, A. Kaminski, H. Lin, S. Jia, and M. Zahid Hasan, Nat. Phys. 11, 748 (2015).

    Article  Google Scholar 

  28. F. Arnold, C. Shekhar, S. C. Wu, Y. Sun, R. D. Dos Reis, N. Kumar, M. Naumann, M. O. Ajeesh, M. Schmidt, A. G. Grushin, J. H. Bardarson, M. Baenitz, D. Sokolov, H. Borrmann, M. Nicklas, C. Felser, E. Hassinger, and B. Yan, Nat. Commun. 7, 11615 (2016), arXiv: 1506.06577.

    Article  ADS  Google Scholar 

  29. C. L. Zhang, S. Y. Xu, I. Belopolski, Z. Yuan, Z. Lin, B. Tong, G. Bian, N. Alidoust, C. C. Lee, S. M. Huang, T. R. Chang, G. Chang, C. H. Hsu, H. T. Jeng, M. Neupane, D. S. Sanchez, H. Zheng, J. Wang, H. Lin, C. Zhang, H. Z. Lu, S. Q. Shen, T. Neupert, M. Zahid Hasan, and S. Jia, Nat. Commun. 7, 10735 (2016), arXiv: 1601.04208.

    Article  ADS  Google Scholar 

  30. C. Shekhar, A. K. Nayak, Y. Sun, M. Schmidt, M. Nicklas, I. Leermakers, U. Zeitler, Y. Skourski, J. Wosnitza, Z. Liu, Y. Chen, W. Schnelle, H. Borrmann, Y. Grin, C. Felser, and B. Yan, Nat. Phys. 11, 645 (2015), arXiv: 1502.04361.

    Article  Google Scholar 

  31. H. Wang, H. Wang, Y. Chen, J. Luo, Z. Yuan, J. Liu, Y. Wang, S. Jia, X. J. Liu, J. Wei, and J. Wang, Sci. Bull. 62, 425 (2017).

    Article  Google Scholar 

  32. A. Furusaki, Sci. Bull. 62, 788 (2017).

    Article  Google Scholar 

  33. A. A. Burkov, M. D. Hook, and L. Balents, Phys. Rev. B 84, 235126 (2011), arXiv: 1110.1089.

    Article  ADS  Google Scholar 

  34. H. Weng, Y. Liang, Q. Xu, R. Yu, Z. Fang, X. Dai, and Y. Kawazoe, Phys. Rev. B 92, 045108 (2015), arXiv: 1411.2175.

    Article  ADS  Google Scholar 

  35. R. Yu, H. Weng, Z. Fang, X. Dai, and X. Hu, Phys. Rev. Lett. 115, 036807 (2015), arXiv: 1504.04577.

    Article  ADS  Google Scholar 

  36. Y. Kim, B. J. Wieder, C. L. Kane, and A. M. Rappe, Phys. Rev. Lett. 115, 036806 (2015), arXiv: 1504.03807.

    Article  ADS  Google Scholar 

  37. C. Fang, Y. Chen, H. Y. Kee, and L. Fu, Phys. Rev. B 92, 081201 (2015), arXiv: 1506.03449.

    Article  ADS  Google Scholar 

  38. Z. Li, S. Y. Ning, H. B. Su, T. Iitaka, X. Y. Yang, J. X. Zhang, and T. Takami, Sci. China-Phys. Mech. Astron. 60, 017221 (2017).

    Article  ADS  Google Scholar 

  39. B. Bradlyn, J. Cano, Z. Wang, M. G. Vergniory, C. Felser, R. J. Cava, and B. A. Bernevig, Science 353, aaf5037 (2016).

    Article  Google Scholar 

  40. Z. Zhu, G. W. Winkler, Q. S. Wu, J. Li, and A. A. Soluyanov, Phys. Rev. X 6, 031003 (2016), arXiv: 1605.04653.

    Google Scholar 

  41. H. Weng, C. Fang, Z. Fang, and X. Dai, Phys. Rev. B 94, 165201 (2016), arXiv: 1605.05186.

    Article  ADS  Google Scholar 

  42. H. Weng, C. Fang, Z. Fang, and X. Dai, Phys. Rev. B 93, 241202 (2016), arXiv: 1604.08467.

    Article  ADS  Google Scholar 

  43. G. Chang, S. Y. Xu, S. M. Huang, D. S. Sanchez, C. H. Hsu, G. Bian, Z. M. Yu, I. Belopolski, N. Alidoust, H. Zheng, T. R. Chang, H. T. Jeng, S. A. Yang, T. Neupert, H. Lin, and M. Z. Hasan, Sci. Rep. 7, 1688 (2017).

    Article  ADS  Google Scholar 

  44. J. P. Sun, D. Zhang, and K. Chang, Chin. Phys. Lett. 34, 027102 (2017).

    Article  ADS  Google Scholar 

  45. X. Zhang, Z. M. Yu, X. L. Sheng, H. Y. Yang, and S. A. Yang, Phys. Rev. B 95, 235116 (2017), arXiv: 1704.03703.

    Article  ADS  Google Scholar 

  46. I. C. Fulga, and A. Stern, Phys. Rev. B 95, 241116 (2017), arXiv: 1702.03939.

    Article  ADS  Google Scholar 

  47. M. Ezawa, Phys. Rev. B 95, 205201 (2017), arXiv: 1612.05857.

    Article  ADS  Google Scholar 

  48. J. B. He, D. Chen, W. L. Zhu, S. Zhang, L. X. Zhao, Z. A. Ren, and G. F. Chen, Phys. Rev. B 95, 195165 (2017), arXiv: 1703.03211.

    Article  ADS  Google Scholar 

  49. B. Q. Lv, Z. L. Feng, Q. N. Xu, X. Gao, J. Z. Ma, L. Y. Kong, P. Richard, Y. B. Huang, V. N. Strocov, C. Fang, H. M. Weng, Y. G. Shi, T. Qian, and H. Ding, Nature 546, 627 (2017).

    Article  ADS  Google Scholar 

  50. A. A. Soluyanov, D. Gresch, Z. Wang, Q. S. Wu, M. Troyer, X. Dai, and B. A. Bernevig, Nature 527, 495 (2015), arXiv: 1507.01603.

    Article  ADS  Google Scholar 

  51. Z. Wang, D. Gresch, A. A. Soluyanov, W. Xie, S. Kushwaha, X. Dai, M. Troyer, R. J. Cava, and B. A. Bernevig, Phys. Rev. Lett. 117, 056805 (2016), arXiv: 1511.07440.

    Article  ADS  Google Scholar 

  52. J. L. Zhang, S. J. Zhang, H. M. Weng, W. Zhang, L. X. Yang, Q. Q. Liu, S. M. Feng, X. C. Wang, R. C. Yu, L. Z. Cao, L. Wang, W. G. Yang, H. Z. Liu, W. Y. Zhao, S. C. Zhang, X. Dai, Z. Fang, and C. Q. Jin, Proc. Natl. Acad. Sci. USA 108, 24 (2011), arXiv: 1009.3691.

    Article  ADS  Google Scholar 

  53. K. Kirshenbaum, P. S. Syers, A. P. Hope, N. P. Butch, J. R. Jeffries, S. T. Weir, J. J. Hamlin, M. B. Maple, Y. K. Vohra, and J. Paglione, Phys. Rev. Lett. 111, 087001 (2013), arXiv: 1302.6488.

    Article  ADS  Google Scholar 

  54. X. C. Pan, X. Chen, H. Liu, Y. Feng, Z. Wei, Y. Zhou, Z. Chi, L. Pi, F. Yen, F. Song, X. Wan, Z. Yang, B. Wang, G. Wang, and Y. Zhang, Nat. Commun. 6, 7805 (2015), arXiv: 1501.07394.

    Article  Google Scholar 

  55. D. Kang, Y. Zhou, W. Yi, C. Yang, J. Guo, Y. Shi, S. Zhang, Z. Wang, C. Zhang, S. Jiang, A. Li, K. Yang, Q. Wu, G. Zhang, L. Sun, and Z. Zhao, Nat. Commun. 6, 7804 (2015), arXiv: 1502.00493.

    Article  ADS  Google Scholar 

  56. P. Lu, J. S. Kim, J. Yang, H. Gao, J. Wu, D. Shao, B. Li, D. Zhou, J. Sun, D. Akinwande, D. Xing, and J. F. Lin, Phys. Rev. B 94, 224512 (2016).

    Article  ADS  Google Scholar 

  57. Y. Li, Y. Zhou, Z. Guo, X. Chen, P. Lu, X. Wang, C. An, Y. Zhou, J. Xing, G. Du, X. Zhu, H. Yang, J. Sun, Z. Yang, Y. Zhang, and H.-H. Wen, npj Quantum Mater. 2, 66 (2017),. arXiv: 1611.02548.

    Article  ADS  Google Scholar 

  58. Y. Zhou, P. Lu, Y. Du, X. Zhu, G. Zhang, R. Zhang, D. Shao, X. Chen, X. Wang, M. Tian, J. Sun, X. Wan, Z. Yang, W. Yang, Y. Zhang, and D. Xing, Phys. Rev. Lett. 117, 146402 (2016).

    Article  ADS  Google Scholar 

  59. M. Lu, Y. Guo, M. Zhang, H. Liu, and J. S. Tse, Solid State Commun. 240, 37 (2016).

    Article  ADS  Google Scholar 

  60. J. Zhang, F. L. Liu, J. K. Dong, Y. Xu, N. N. Li, W. G. Yang, and S. Y. Li, Chin. Phys. Lett. 32, 097102 (2015).

    Article  ADS  Google Scholar 

  61. C. J. Pickard, and R. J. Needs, J. Phys.-Condens. Matter 23, 053201 (2011), arXiv: 1101.3987.

    Article  ADS  Google Scholar 

  62. C. J. Pickard, and R. J. Needs, Phys. Rev. Lett. 97, 045504 (2006).

    Article  ADS  Google Scholar 

  63. G. Kresse, and J. Furthmüller, Comp. Mater. Sci. 6, 15 (1996).

    Article  Google Scholar 

  64. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).

    Article  ADS  Google Scholar 

  65. E. Sjöstedt, L. Nordström, and D. J. Singh, Solid State Commun. 114, 15 (2000).

    Article  ADS  Google Scholar 

  66. G. K. H. Madsen, P. Blaha, K. Schwarz, E. Sjöstedt, and L. Nordström, Phys. Rev. B 64, 195134 (2001).

    Article  ADS  Google Scholar 

  67. P. Blaha, K. Schwarz, G. Madsen, D. Kvasnicka, and J. Luitz, WIEN2k, An Augmented Plane Wave+Local Orbitals Program for Calculating Crystal Properties (Technische Universität, Wien, 2001).

    Google Scholar 

  68. J. Kuneš, P. Novák, R. Schmid, P. Blaha, and K. Schwarz, Phys. Rev. B 64, 153102 (2001).

    Article  ADS  Google Scholar 

  69. A. A. Mostofi, J. R. Yates, Y. S. Lee, I. Souza, D. Vanderbilt, and N. Marzari, Comp. Phys. Commun. 178, 685 (2008), arXiv: 0708.0650.

    Article  ADS  Google Scholar 

  70. M. P. L. Sancho, J. M. Lopez Sancho, and J. Rubio, J. Phys. F-Met. Phys. 14, 1205 (1984).

    Article  ADS  Google Scholar 

  71. M. P. L. Sancho, J. M. Lopez Sancho, J. M. L. Sancho, and J. Rubio, J. Phys. F-Met. Phys. 15, 851 (1985).

    Article  ADS  Google Scholar 

  72. J. Xu, M. Greenblatt, T. Emge, P. Höhn, T. Hughbanks, and Y. Tian, Inorg. Chem. 35, 845 (1996).

    Article  Google Scholar 

  73. N. Schönberg, W. G. Overend, A. Munthe-Kaas, and N. A. Sörensen, Acta Chem. Scand. 8, 226 (1954).

    Article  Google Scholar 

  74. S. Furuseth, and A. Kjekshus, Acta Cryst. 17, 1077 (1964).

    Article  Google Scholar 

  75. J. J. Murray, J. B. Taylor, L. D. Calvert, Y. Wang, E. J. Gabe, and J. G. Despault, J. Less Common Met. 46, 311 (1976).

    Article  Google Scholar 

  76. Q. S. Wu, S. N. Zhang, H. F. Song, M. Troyer, and A. A. Soluyanov, Comp. Phys. Commun. https://doi.org/10.1016/j.cpc.2017.09.033 (2017), arXiv: 1703.37789.

    Google Scholar 

  77. R. Yu, X. L. Qi, A. Bernevig, Z. Fang, and X. Dai, Phys. Rev. B 84, 075119 (2011), arXiv: 1101.2011.

    Article  ADS  Google Scholar 

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  1. National Laboratory of Solid State Microstructures, School of Physics and Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing, 210093, China

    ZhaoPeng Guo, PengChao Lu, Tong Chen, JueFei Wu, Jian Sun & DingYu Xing

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Guo, Z., Lu, P., Chen, T. et al. High-pressure phases of Weyl semimetals NbP, NbAs, TaP, and TaAs. Sci. China Phys. Mech. Astron. 61, 038211 (2018). https://doi.org/10.1007/s11433-017-9126-6

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