Electronic Structure and Linhard Function of Iron-Based Superconductor La0.5−xNa0.5 + xFe2As2

  • Yang Yang
  • Shi-Quan Feng
  • Hong-Yan Lu
  • Wan-Sheng Wang
  • Zhen-ping ChenEmail author
Original Paper


We perform theoretical studies of the iron-based superconductor La0.5−xNa0.5 + xFe2As2. Using density functional calculation with virtual crystal approximation, band structures, density of states, and Fermi surfaces are obtained for different La/Na composition by varying x value. Furthermore, the nesting property is also investigated using the Linhard function. Our main findings are as follows: For undoped (x = 0.0) case, the magnetic and electronic structure share great similarities with extensively studied BaFe2As2. Upon hole doping (x = 0.3), the Q = (π,π) nesting property are preserved. However, upon electron doping (x = -0.3), the Fermi surfaces undergo a dramastic change into 3D and complex structure. We find this change is attributed to the comprehensive influence of band filling and chemical pressure of La3+. We propose the asymmetric change of Fermi surfaces upon doping may in some sense explain the electron-hole asymmetry in phase diagram.


Density functional calculation La0.5−xNa0.5 + xFe2As2 Iron-based superconductor Nesting 


Funding Information

The project was supported by NSFC (under grant Nos.11604303, 11675149, and 11574108).


  1. 1.
    Kamihara, Y., Watanabe, T., Hirano, M., Hosono, H.: J. Am. Chem. Soc. 130, 3296 (2008)CrossRefGoogle Scholar
  2. 2.
    Rotter, M., Tegel, M., Johrendt, D.: Phys. Rev. Lett. 101, 107006 (2008)ADSCrossRefGoogle Scholar
  3. 3.
    Thomale, R., Platt, C., Hanke, W., Hu, J., Bernevig, B.A.: Phys. Rev. Lett. 107, 117001 (2011)ADSCrossRefGoogle Scholar
  4. 4.
    Okazaki, K., Ota, Y., Kotani, Y., Malaeb, W., Ishida, Y., Shimojima, T., Kiss, T., Watanabe, S., Chen, C.-T., Kihou, K., Lee, C.H., Iyo, A., Eisaki, H., Saito, T., Fukazawa, H., Kohori, Y., Hashimoto, K., Shibauchi, T., Matsuda, Y., Ikeda, H., Miyahara, H., Arita, R., Chainani, A., Shin, S.: Science 337, 1314 (2012)ADSCrossRefGoogle Scholar
  5. 5.
    Biswas, P.K., Iyo, A., Yoshida, Y., Eisaki, H., Kawashima, K., Hillier, A.D.: Phys. Rev. B 95, 140505 (2017)ADSCrossRefGoogle Scholar
  6. 6.
    Smidman, M., Kirschner, F.K.K., Adroja, D.T., Hillier, A.D., Lang, F., Wang, Z.C., Cao, G.H., Blundell, S.J.: Phys. Rev. B 97, 060509 (2018)ADSCrossRefGoogle Scholar
  7. 7.
    Yan, J.-Q., Nandi, S., Saparov, B., Čermák, P., Xiao, Y., Su, Y., Jin, W.T., Schneidewind, A., Brückel, T.H., et al.: Phys. Rev. B 91, 024501 (2015)ADSCrossRefGoogle Scholar
  8. 8.
    Iyo, A., Kawashima, K., Ishida, S., Fujihisa, H., Gotoh, Y., Eisaki, H., Yoshida, Y.: J. Am. Chem. Soc. 140(1), 369–374 (2018)CrossRefGoogle Scholar
  9. 9.
    Gu, Y., Wang, J.-O., Ma, X., Luo, H., Shi, Y., Li, S.: arXiv:1805.08923
  10. 10.
    Mazin, I.I., Singh, D.J., Johannes, M.D., Du, M.H.: Phys. Rev. Lett. 101, 057003 (2008)ADSCrossRefGoogle Scholar
  11. 11.
    Yin, Z.P., Lebègue, S., Han, M.J., Neal, B.P., Savrasov, S.Y., Pickett, W.E.: Phys. Rev. Lett. 101, 047001 (2008)ADSCrossRefGoogle Scholar
  12. 12.
    Singh, D.J., Du, M.H.: Phys. Rev. Lett. 100, 237003 (2008)ADSCrossRefGoogle Scholar
  13. 13.
    Singh, D.J.: Phys. Rev. B 78, 094511 (2008)ADSCrossRefGoogle Scholar
  14. 14.
    Singh, D.J.: Physica C 469, 418 (2009)ADSCrossRefGoogle Scholar
  15. 15.
    Giannozzi, P., et al.: J. Phys.: Condens. Matter 21, 395502 (2009). Google Scholar
  16. 16.
    Perdew, J.P., Burke, K., Ernzerhof, M.: Phys. Rev. Lett. 77, 3865 (1996)ADSCrossRefGoogle Scholar
  17. 17.
    Lee, C.-H., Iyo, A., Eisaki, H., Kito, H., Fernandez-Diaz, M.T., Ito, T., Kihou, K., Matsuhata, H., Braden, M., Yamada, K.: J. Phys. Soc. Jpn. 77, 083704 (2008)ADSCrossRefGoogle Scholar
  18. 18.
    Kuroki, K., Usui, H., Onari, S., Arita, R., Aoki, H.: Phys. Rev. B 79, 224511 (2009)ADSCrossRefGoogle Scholar
  19. 19.
    Mizuguhci, Y., Hara, Y., Deguchi, K., Tsuda, S., Yamaguchi, T., Takeda, K., Kotegawa, H., Tou, H., Takano, Y.: Supercond. Sci. Technol. 23, 054013 (2010)ADSCrossRefGoogle Scholar
  20. 20.
    Kuchinskii, E.Z., Nekrasov, I.A., Sadovskii, M.V.: JETP Lett. 91, 518 (2010)ADSCrossRefGoogle Scholar
  21. 21.
    Shishido, H., Bangura, A., Coldea, A., Tonegawa, S., Hashimoto, K., Kasahara, S., Rourke, P., Ikeda, H., Terashima, T., Settai, R., Onuki, Y., Vignolles, D., Proust, C., Vignolle, B., Mccollam, A., Matsuda, Y., Shibauchi, T., Carrington, A.: Phys. Rev. Lett. 104, 057008 (2010)ADSCrossRefGoogle Scholar
  22. 22.
    Liu, C., Kondo, T., Ni, N., Palczewski, A.D., Bostwick, A., Samolyuk, G.D., Khasanov, R., Shi, M., Rotenberg, E., Bud’ko, S.L., Canfield, P.C., Kaminski, A.: Phys. Rev. Lett. 102, 167004 (2009)ADSCrossRefGoogle Scholar
  23. 23.
    Neupane, M., Richard, P., Xu, Y.-M., Nakayama, K., Sato, T., Takahashi, T., Federov, A.V., Xu, G., Dai, X., Fang, Z., Wang, Z., Chen, G.-F., Wang, N.-L., Wen, H.-H., Ding, H.: Phys. Rev. B 83, 094522 (2011)ADSCrossRefGoogle Scholar
  24. 24.
    Wu, G., Liu, R.H., Chen, H., Yan, Y.J., Wu, T., Xie, Y.L., Ying, J.J., Wang, X.F., Fang, D.F., Chen, X.H.: Europhys. Lett. 84, 07010 (2008)CrossRefGoogle Scholar
  25. 25.
    Huang, Y.N., Liu, D.Y., Zou, L.J., Pickett, W.E.: Phys. Rev. B 93, 195148 (2016)ADSCrossRefGoogle Scholar
  26. 26.
    de la Cruz, C., Huang, Q., Lynn, J.W., Li, J., RatcliffII, W., Zarestky, J.L., Mook, H.A., Chen, G.F., Luo, J.L., Wang, N.L., Dai, P.: Nature (London) 453, 899 (2008)ADSCrossRefGoogle Scholar
  27. 27.
    Dong, J., Zhang, H.J., Xu, G., Li, Z., Li, G., Hu, W.Z., Wu, D., Chen, G.F., Dai, X., Luo, J.L., Fang, Z., Wang, N.L.: Europhys. Lett. 83, 27006 (2008)ADSCrossRefGoogle Scholar
  28. 28.
    Yildirim, T.: Phys. Rev. Lett. 101, 057010 (2008)ADSCrossRefGoogle Scholar

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Authors and Affiliations

  1. 1.College of Physics and Electronic EngineeringZhengzhou University of Light IndustryZhengzhouChina
  2. 2.School of Physics and Electronic InformationHuaibei Normal UniversityHuaibeiChina
  3. 3.Department of PhysicsNingbo UniversityNingboChina

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