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arXiv 2201.07403cond-mat.supr-con
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各向异性与无序对铌超导性质的影响

Effects of anisotropy and disorder on the superconducting properties of Niobium

Mehdi Zarea, Hikaru Ueki, J. A. Sauls

AI总结:

基于密度泛函理论和 Eliashberg 方程,本文计算了纯铌的超导性质,发现其超导能隙存在显著各向异性,并利用自洽 T-matrix 理论分析了非磁性杂质散射对转变温度的抑制,与掺氮铌 SRF 腔实验结果相符。

摘要:

我们报告了基于 Eliashberg 方程以及由密度泛函理论计算的电子和声子能带,得到的纯铌的超导转变温度和各向异性能隙的结果。电子能带结构被用于构建费米面并计算费米面上每个点的费米速度。声子能带与非弹性中子散射数据高度吻合。相应的声子态密度和电声子耦合定义了电声子谱函数 $α^2F({\bf p},{\bf p}';ω)$ 及相应的电声子配对相互作用,这是计算超导性质的基础。除了 $\hbarω_{\text{LO}}=23\\,\mbox{meV}$ 处的纵声子峰谱权重外,电声子谱函数与现有隧穿光谱数据吻合良好。我们得到电声子耦合常数 $λ=1.057$,重正化库仑相互作用 $μ^{\star}=0.218$ 和转变温度 $T_c=9.33\\,\mbox{K}$。与弱耦合 BCS 值 $Δ_0^{\text{wc}}=1.78\\,k_{\mbox{b}}\\,T_c= 1.43\\,\mbox{meV}$ 相比,$T=0$ 时相应的强耦合能隙略有增强,为 $Δ_0=1.55\\,\mbox{meV}$。超导能隙函数在费米面上表现出显著的各向异性。我们分析了能隙各向异性的分布,并使用自洽 T-matrix 理论计算了准粒子-杂质散射对超导转变温度的抑制,以描述掺杂非磁性杂质的铌。我们将这些结果与掺氮杂质的铌 SRF 腔的实验结果进行了比较。

英文摘要:

We report results for the superconducting transition temperature and anisotropic energy gap for pure Niobium based on Eliashberg's equations and electron and phonon band structures computed from density functional theory. The electronic band structure is used to construct the Fermi surface and calculate the Fermi velocity at each point on the Fermi surface.The phonon bands are in excellent agreement with inelastic neutron scattering data. The corresponding phonon density of states and electron-phonon coupling define the electron-phonon spectral function, $α^2F({\bf p},{\bf p}';ω)$, and the corresponding electron-phonon pairing interaction, which is the basis for computing the superconducting properties. The electron-phonon spectral function is good agreement with existing tunneling spectroscopy data except for the spectral weight of the longitudinal phonon peak at $\hbarω_{\text{LO}}=23\,\mbox{meV}$. We obtain an electron-phonon coupling constant of $λ=1.057$, renormalized Coulomb interaction, $μ^{\star}=0.218$ and transition temperature $T_c=9.33\,\mbox{K}$. The corresponding strong-coupling gap at $T=0$ is modestly enhanced, $Δ_0=1.55\,\mbox{meV}$, compared to the weak-coupling BCS value $Δ_0^{\text{wc}}=1.78\,k_{\mbox{b}}\,T_c= 1.43\,\mbox{meV}$. The superconducting gap function exhibits substantial anisotropy on the Fermi surface. We analyze the distribution of gap anisotropy and compute the suppression of the superconducting transition temperature using a self-consistent T-matrix theory for quasiparticle-impurity scattering to describe Niobium doped with non-magnetic impurities. We compare these results with experimental results on Niobium SRF cavities doped with Nitrogen impurities.

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