condensed matter physics

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

arXiv:2607.14677

summary

The paper uses first-principles superconducting density functional theory to investigate ThFeAsN, showing that spin fluctuations drive multiband superconductivity with a d_xy-wave order parameter and a calculated Tc of about 22 K.

Abstract

Superconducting (SC) pairing mechanism, origin of high 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 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 of 22.4 K and the -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.

8 pages, 7 figures and 2 tables

Topics & keywords

#spin fluctuations#iron-based superconductors#first-principles calculations#superconducting density functional theory#pairing symmetryThFeAsNelectron-phonon couplingspin fluctuation mediated pairingd_xy-wavemultiband superconductivityTc
Spin fluctuation-mediated unconventional superconductivity in ThFeAsN from first-principles · wovepaper