AI 中文总结
研究铁基高温超导体ThFeAsN的超导特性，采用从头算超导密度泛函理论计算，考虑多种相互作用，揭示其为自旋涨落介导的多带超导体，计算出临界温度等，给出可实验验证的超导特性。
AI 中文摘要
铁基超导体中的超导配对机制、高临界温度起源和超导序参量对称性是凝聚态和材料物理中重要的未解决问题。我们通过从头算超导密度泛函理论计算研究了铁基高温超导体ThFeAsN的超导特性，充分考虑了电子 - 声子耦合、屏蔽的静态和动态电子 - 电子库仑排斥以及自旋涨落介导的配对相互作用。计算表明ThFeAsN是自旋涨落介导的多带超导体，计算的临界温度为22.4K，不同费米面片上的超导序参量具有不同符号，与实验一致。还给出了可通过实验立即验证的不同超导特性，如准粒子态密度和超声衰减系数。
英文摘要
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.
Comments8 pages, 7 figures and 2 tables
