Eliashberg theory with ab-initio Coulomb interactions: a minimal numerical scheme applied to layered superconductors

IF 2.9 4区 物理与天体物理 Q2 OPTICS Journal of Nonlinear Optical Physics & Materials Pub Date : 2022-03-23 DOI:10.1088/2515-7639/ac6041
C. Pellegrini, R. Heid, A. Sanna
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引用次数: 6

Abstract

We present a minimal approach to include static Coulomb interactions in Eliashberg theory of superconductivity from first principles. The method can be easily implemented in any existing Eliashberg code (isotropic or anisotropic) to avoid the standard use of the semiempirical parameter μ∗ , which adds unnecessary uncertainty to T c predictions. We evaluate the prediction accuracy of the method by simulating the superconducting properties of a set of layered superconductors, which feature unconventional Coulomb effects: CaC6, MgB2, Li-doped β-ZrNCl and YNi2B2C. We find that the estimated critical temperatures are consistent with those from ab-initio density functional theory for superconductors, and in close agreement with the experimental values.
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具有从头算库仑相互作用的Eliashberg理论:应用于层状超导体的最小数值格式
我们提出了一种最小的方法,从第一原理在Eliashberg超导理论中包含静态库仑相互作用。该方法可以很容易地在任何现有的Eliashberg码(各向同性或各向异性)中实现,以避免标准使用半经验参数μ∗,这给tc预测增加了不必要的不确定性。我们通过模拟一组具有非常规库仑效应的层状超导体:CaC6, MgB2, li掺杂β-ZrNCl和YNi2B2C的超导特性来评估该方法的预测精度。我们发现估计的临界温度与从从头算密度泛函理论得到的超导体临界温度一致,并且与实验值非常吻合。
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来源期刊
CiteScore
3.00
自引率
48.10%
发文量
53
审稿时长
3 months
期刊介绍: This journal is devoted to the rapidly advancing research and development in the field of nonlinear interactions of light with matter. Topics of interest include, but are not limited to, nonlinear optical materials, metamaterials and plasmonics, nano-photonic structures, stimulated scatterings, harmonic generations, wave mixing, real time holography, guided waves and solitons, bistabilities, instabilities and nonlinear dynamics, and their applications in laser and coherent lightwave amplification, guiding, switching, modulation, communication and information processing. Original papers, comprehensive reviews and rapid communications reporting original theories and observations are sought for in these and related areas. This journal will also publish proceedings of important international meetings and workshops. It is intended for graduate students, scientists and researchers in academic, industrial and government research institutions.
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