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PreprintCC BY 4.0arXiv

Spin-fluctuation-mediated unconventional dxy-wave superconductivity in ThFeAsN from first-principles

  • Guang-Yu Guo
  • Jau-Wen Liu
  • Mitsuaki Kawamura
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Abstract

Superconducting (SC) pairing mechanism, origin of high Tc 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, a Fe-based high Tc superconductor, by {\it ab initio} 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 a SF-mediated multiband superconductor with the calculated Tc of 22.4 K and the dxy-wave SC order parameter with different signs on different Fermi surface sheets, in consistent with 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

BibTeXRIS
BibTeX
@misc{guo2026spinfluctuationmediated,
  title = {{Spin-fluctuation-mediated unconventional $d_xy$-wave superconductivity in ThFeAsN from first-principles}},
  author = {Guang-Yu Guo and Jau-Wen Liu and Mitsuaki Kawamura},
  howpublished = {arXiv},
  year = {2026},
  month = oct,
  doi = {10.48550/arxiv.2607.14677},
  eprint = {2607.14677},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2607.14677},
  note = {CC BY 4.0},
}
RIS
TY  - UNPB
TI  - Spin-fluctuation-mediated unconventional d_xy-wave superconductivity in ThFeAsN from first-principles
AU  - Guang-Yu Guo
AU  - Jau-Wen Liu
AU  - Mitsuaki Kawamura
PY  - 2026
DA  - 2026/10/12
PB  - arXiv
DO  - 10.48550/arxiv.2607.14677
UR  - https://arxiv.org/abs/2607.14677
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, a Fe-based high T_c superconductor, by {\it ab initio} 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 a SF-mediated multiband superconductor with the calculated T_c of 22.4 K and the d_xy-wave SC order parameter with different signs on different Fermi surface sheets, in consistent with experiments. We also present distinct SC properties such as quasiparticle density of states and ultrasonic attenuation coefficient which can be immediately verified by experiments.
ER  -