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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 Chen
Original Paper
  • 32 Downloads

Abstract

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.

Keywords

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

Notes

Funding Information

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

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Copyright information

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

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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