Advertisement

Journal of Superconductivity and Novel Magnetism

, Volume 31, Issue 10, pp 3153–3158 | Cite as

Electronic Properties and Lattice Dynamics Studies of the Nickel-Based Superconductor ThNiAsN

  • Yang Yang
  • Shi-Quan Feng
  • Hong-Yan Lu
  • Liu-Ting Gu
  • Zhen-ping Chen
Original Paper
  • 121 Downloads

Abstract

We perform theoretical studies of the newly discovered nickel-based pnictide ThNiAsN. The obtained large density of states may explain the normal-state Sommerfeld coefficient observed by former experiments. The obtained band structure and Fermi surfaces are rather two-dimensional with a small hole-like Fermi surface around X point and three electron-like ones around M point, which share great similarities with LaNiAsO. Meanwhile, the lattice dynamics of ThNiAsN are also studied within density functional perturbation theory (DFPT). The electron-phonon coupling constant is 0.67, suggesting that ThNiAsN is a phonon-mediated superconductor. In the end, as a prototype of nickel-based superconductor, we obtain an effective tight-binding model by means of the maximally localized Wannier function (MLWF). Based on this model, the nesting properties have been studied using Lindhard function for nominal doping and hole doping. We find the hole doping will introduce better nesting properties, making this system a potential candidate to develop magnetic and unconventional superconducting instabilities.

Keywords

Density functional calculation ThNiAsN MLWF Theories and models of superconducting state Nesting 

Notes

Funding Information

The project was supported by NSFC (under grant No.11604303, No.11675149 and No.11574108).

References

  1. 1.
    Kamihara, Y., Watanabe, T., Hirano, M., Hosono, H.: J. Am. Chem. Soc. 130(11), 3296 (2008)CrossRefGoogle Scholar
  2. 2.
    Watanabe, T., Yanagi, H., Kamiya, T., Kamihara, Y., Hiramatsu, H., Hirano, M., Hosono, H.: Inorg. Chem. 46, 7719 (2007)CrossRefGoogle Scholar
  3. 3.
    Watanabe, T., Yanagi, H., Kamihara, Y., Kamiya, T., Hirano, M., Hosono, H.: J. Solid State Chem. 181, 2117 (2008)ADSCrossRefGoogle Scholar
  4. 4.
    Ronning, F., Kurita, N., Bauer, E.D., Scott, B.L., Park, T., Klimczuk, T., Movshovich, R., Thompson, J.D.: J. Phys. Condens. Mat. 20, 342203 (2008)CrossRefGoogle Scholar
  5. 5.
    Tomioka, Y., Ishida, S., Nakajima, M., Ito, T., Kito, H., Iyo, A., Eisaki, H., Uchida, S.: Phys. Rev. B 79, 132506 (2009)ADSCrossRefGoogle Scholar
  6. 6.
    Ronning, F., Bauer, E.D., Park, T., Baek, S.-H., Sakai, H., Thompson, J.D.: Phys. Rev. B 79, 134507 (2009)ADSCrossRefGoogle Scholar
  7. 7.
    Bauer, E.D., Ronning, F., Scott, B.L., Thompson, J.D.: Phys. Rev. B 78, 172504 (2008)ADSCrossRefGoogle Scholar
  8. 8.
    Hirai, D., Takayama, T., Higashinaka, R., Katori, H.A., Takagi, H.: J. Phys. Soc. Jpn. 78, 023706 (2009)ADSCrossRefGoogle Scholar
  9. 9.
    Berry, N., Capan, C., Seyfarth, G., Bianchi, A.D., Ziller, J., Fisk, Z.: Phys. Rev. B 79(R), 180502 (2009)ADSCrossRefGoogle Scholar
  10. 10.
    Hirai, D., Takayama, T., Hashizume, D., Higashinaka, R., Yamamoto, A., Hiroko, A., Takagi, H.: Physica C: Supercond. 470, S296 (2010)ADSCrossRefGoogle Scholar
  11. 11.
    Anand, V.K., Kim, H., Tanatar, M.A., Prozorov, R., Johnston, D.C.: Phys. Rev. B 87, 224510 (2013)ADSCrossRefGoogle Scholar
  12. 12.
    Guo, Q., Yu, J., Ruan, B.B., Chen, D.Y., Wang, X.C., Mu, Q.G., Pan, B.J., Chen, G.F., Ren, Z.A.: EuroPhys. Lett. 113, 17002 (2016)ADSCrossRefGoogle Scholar
  13. 13.
    Kudo, K., Nishikubo, Y., Nohara, M.: J. Phys. Soc. Jpn. 79, 123710 (2010)ADSCrossRefGoogle Scholar
  14. 14.
    Imai, M., Emura, S., Nishio, M., Matsushita, Y., Ibuka, S., Eguchi, N., Ishikawa, F., Yamada, Y., Muranaka, T., Akimitsu, J.: Supercond. Sci. Technol. 26, 075001 (2013)ADSCrossRefGoogle Scholar
  15. 15.
    Neilson, J.R., Llobet, A., Stier, A.V., et al.: Phys. Rev. B 86, 054512 (2012)ADSCrossRefGoogle Scholar
  16. 16.
    Wang, H.D., Dong, C.H., Mao, Q.H., Khan, R., Zhou, X., Li, C.X., Chen, B., Yang, J.H., Su, Q.P., Fang, M.H.: Multiband superconductivity of heavy electrons in a TlNi2Se2 single crystal. Phys. Rev. Lett. 111, 207001 (2013)ADSCrossRefGoogle Scholar
  17. 17.
    Chen, H., Yang, J., Cao, C., Li, L., Su, Q., Chen, B., Wang, H., Mao, Q., Xu, B., Du, J., Fang, M.: Superconductivity in a new layered nickel selenide CsNi2Se2. Supercond. Sci. Technol. 29, 045008 (2016)ADSCrossRefGoogle Scholar
  18. 18.
    Subedi, A., Singh, D.J., Du, M.-H.: Phys. Rev. B 78(R), 060506 (2008)ADSCrossRefGoogle Scholar
  19. 19.
    Subedi, A., Singh, D.J.: Phys. Rev. B 78, 132511 (2008)ADSCrossRefGoogle Scholar
  20. 20.
    Neilson, J.R., Llobet, A., Stier, A.V., Wu, L., Wen, J., Tao, J., Zhu, Y., Tesanovic, Z.B., Armitage, N.P., McQueen, T.M.: Phys. Rev. B 86, 054512 (2012)ADSCrossRefGoogle Scholar
  21. 21.
    Neilson, J.R., McQueen, T.M., Llobet, A., Wen, J., Suchomel, M.R.: Phys. Rev. B 87, 045124 (2013)ADSCrossRefGoogle Scholar
  22. 22.
    Wang, X.B., Wang, H.P., Wang, H., Fang, M., Wang, N.L.: Phys. Rev. B 92, 245129 (2015)ADSCrossRefGoogle Scholar
  23. 23.
    Lukoyanov, A.V., Skornyakov, S.L., McLeod, J.A., Abu-Samak, M., Wilks, R.G., Kurmaev, E.Z., Moewes, A., Skorikov, N.A., Izyumov, Yu, A., Finkelstein, L.D., Anisimov, V.I., Johrendt, D.: Phys. Rev. B 81, 235121 (2010)ADSCrossRefGoogle Scholar
  24. 24.
    Li, Z., Chen, G., Dong, J., Li, G., Hu, W., Wu, D., Su, S., Zheng, P., Xiang, T., Wang, N., Luo, J.: Strong-coupling superconductivity in the nickel-based oxypnictide LaNiAsO1−xFx. Phys. Rev. B 78, 060504 (2008)ADSCrossRefGoogle Scholar
  25. 25.
    Wang, Z.C., Shao, Y.T., Wang, C., Wang, Z., Xu, Z.A., Cao, G.H.: Europhys. Let. 118, 57004 (2017)ADSCrossRefGoogle Scholar
  26. 26.
    Wang, C., Wang, Z., Mei, Y., Li, Y., Li, L., Tang, Z., Liu, Y., Zhang, P., Zhai, H., Xu, Z.-A., Cao, G.-H.: J. Am. Chem. Soc. 138, 2170 (2016)CrossRefGoogle Scholar
  27. 27.
    Giannozzi, P., et al.: J. Phys.: Condens. Matter 21, 395502 (2009). http://www.quantum-espresso.org Google Scholar
  28. 28.
    Perdew, J.P., Burke, K., Ernzerhof, M.: Phys. Rev. Lett. 77, 3865 (1996)ADSCrossRefGoogle Scholar
  29. 29.
    Baroni, S., de Gironcoli, S., Corso, A.D.: Rev. Mod. Phys. 73, 515 (2001)ADSCrossRefGoogle Scholar
  30. 30.
    Lu, F., Zhao, J.Z., Wang, W.-H.: J. Phys.: Condens. Matter 24, 495501 (2012)Google Scholar
  31. 31.
    Xu, N., Matt, C.E., Richard, P., van Roekeghem, A., Biermann, S., Shi, X., Wu, S.-F., Liu, H.W., Chen, D., Qian, T., Plumb, N.C., Radović, M., Wang, Hangdong, Mao, Qianhui, Jianhua, D u, Fang, Minghu, Mesot, J., Ding, H., Shi, M.: Phys. Rev. B 92, 081116 (2015)ADSCrossRefGoogle Scholar
  32. 32.
    Lu, H.-Y., Wang, N.-N., Geng, L., Chen, S., Yang, Y., Lu, W.-J., Wang, W.-S., Sun, J.: Europhys. Lett. 110, 17003 (2015)ADSCrossRefGoogle Scholar
  33. 33.
    Marzari, N., Vanderbilt, D.: Phys. Rev. B 56, 12847 (1997)ADSCrossRefGoogle Scholar
  34. 34.
    Souza, I., Marzari, N., Vanderbilt, D.: Phys. Rev. B 65, 035109 (2001). The Wannier functions are generated by the code developed by Mostofi, A.A., Yates, J.R., Marzari, N., Souza, I., Vanderbilt, D.: http://www.wannier.org/ ADSCrossRefGoogle Scholar
  35. 35.
    Kuroki, K., Onari, S., Arita, R., Usui, H., Tanaka, Y., Kontani, H., Aoki, H.: Phys. Rev. Lett. 101, 087004 (2008)ADSCrossRefGoogle Scholar
  36. 36.
    Kuroki, K., Usui, H., Onari, S., Arita, R., Aoki, H.: Phys. Rev. B 79, 224511 (2009)ADSCrossRefGoogle Scholar
  37. 37.
    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.: Nat. (Lond.) 453, 899 (2008)ADSCrossRefGoogle Scholar
  38. 38.
    Mazin, I.I., Singh, D.J., Johannes, M.D., Du, M.H.: Phys. Rev. Lett. 101, 057003 (2008)ADSCrossRefGoogle Scholar
  39. 39.
    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
  40. 40.
    Yildirim, T.: Phys. Rev. Lett. 101, 057010 (2008)ADSCrossRefGoogle Scholar
  41. 41.
    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

Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2018

Authors and Affiliations

  • Yang Yang
    • 1
  • Shi-Quan Feng
    • 1
  • Hong-Yan Lu
    • 2
  • Liu-Ting Gu
    • 1
  • Zhen-ping Chen
    • 1
  1. 1.College of Physics and Electronic EngineeringZhengzhou University of Light IndustryZhengzhouChina
  2. 2.School of Physics and Electronic InformationHuaibei Normal UniversityHuaibeiChina

Personalised recommendations