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Peer-reviewedCC BY 4.0Physical Review Research

Spin-fluctuation-mediated unconventional d x y -wave superconductivity in ThFeAsN from first principles

  • Guang-Yu Guo1,2
  • Jau-Wen Liu1
  • Mitsuaki Kawamura3
  1. 1National Taiwan University
  2. 2National Center for Theoretical Sciences
  3. 3Yokohama National University
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Abstract

Superconducting (SC) pairing mechanism, origin of high T c , and symmetry of SC order parameter in Fe-based superconductors are among the important unsolved problems in condensed matter and materials physics. We study the SC properties of ThFeAsN, an Fe-based high- T c superconductor, by superconducting density functional theory calculations with electron-phonon coupling, screened static and dynamic electron-electron Coulomb repulsion, and spin fluctuation (SF)-mediated pair interaction fully taken into account. Our calculations reveal that ThFeAsN is an SF-mediated multiband superconductor with the calculated T c of 22.4 K and the d x y -wave SC order parameter with different signs on different Fermi surface sheets, consistent with most experiments. We also present distinct SC properties such as quasiparticle density of states and ultrasonic attenuation coefficient, which can be immediately verified by experiments.

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Cite

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BibTeX
@article{guo2026spinfluctuationmediated,
  title = {{Spin-fluctuation-mediated unconventional d x y -wave superconductivity in ThFeAsN from first principles}},
  author = {Guang-Yu Guo and Jau-Wen Liu and Mitsuaki Kawamura},
  journal = {Physical Review Research},
  year = {2026},
  month = oct,
  doi = {10.1103/9ft6-nfbj},
  url = {https://link.aps.org/doi/10.1103/9ft6-nfbj},
  note = {CC BY 4.0},
}
RIS
TY  - JOUR
TI  - Spin-fluctuation-mediated unconventional d x y -wave superconductivity in ThFeAsN from first principles
AU  - Guang-Yu Guo
AU  - Jau-Wen Liu
AU  - Mitsuaki Kawamura
PY  - 2026
DA  - 2026/10/16
JO  - Physical Review Research
DO  - 10.1103/9ft6-nfbj
UR  - https://link.aps.org/doi/10.1103/9ft6-nfbj
AB  - Superconducting (SC) pairing mechanism, origin of high T c , and symmetry of SC order parameter in Fe-based superconductors are among the important unsolved problems in condensed matter and materials physics. We study the SC properties of ThFeAsN, an Fe-based high- T c superconductor, by superconducting density functional theory calculations with electron-phonon coupling, screened static and dynamic electron-electron Coulomb repulsion, and spin fluctuation (SF)-mediated pair interaction fully taken into account. Our calculations reveal that ThFeAsN is an SF-mediated multiband superconductor with the calculated T c of 22.4 K and the d x y -wave SC order parameter with different signs on different Fermi surface sheets, consistent with most experiments. We also present distinct SC properties such as quasiparticle density of states and ultrasonic attenuation coefficient, which can be immediately verified by experiments.
SN  - 2643-1564
ER  -