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 YangEmail author
  • Shi-Quan Feng
  • Hong-Yan Lu
  • Liu-Ting Gu
  • Zhen-ping Chen
Original Paper


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.


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


Funding Information

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


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Copyright information

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

Authors and Affiliations

  • Yang Yang
    • 1
    Email author
  • 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

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