Ab initio theory of plasmonic superconductivity within the Eliashberg and density-functional formalisms

A. Davydov; A. Sanna; C. Pellegrini; J. K. Dewhurst; S. Sharma; E. K. U. Gross

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Ab initio theory of plasmonic superconductivity within the Eliashberg and density-functional formalisms

机译：ELIASHBERG和密度功能形式中的等离子体超导性的AB INITIO理论

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We extend the two leading methods for the ab initio computational description of phonon-mediated superconductors, namely Eliashberg theory and density-functional theory for superconductors (SCDFT), to include plasmonic effects. Furthermore, we introduce a hybrid formalism in which the Eliashberg approximation for the electron-phonon coupling is combined with the SCDFT treatment of the dynamically screened Coulomb interaction. The methods have been tested on a set of well-known conventional superconductors by studying how the plasmon contribution affects the phononic mechanism in determining the critical temperature (7c). Our simulations show that plasmonic SCDFT leads to a good agreement between predicted and measured T_C's. whereas Eliashberg theory considerably overestimates the plasmon-mediated pairing and. therefore. T_C. The hybrid approach, on the other hand, gives results close to SCDFT and overall in excellent agreement with experiments.

机译：我们扩展了声子介导的超导体的AB Initio计算描述的两种领先方法，即Eliashberg理论和超导体（SCDFT）的密度功能理论，包括等离子体效应。此外，我们介绍了一种混合形式主义，其中电子 - 声子耦合的ELIASHBERG近似与动态筛选的库仑相互作用的SCDFT处理结合。通过研究在确定临界温度（7c）时，通过研究样板贡献如何影响声子机构（7c），在一组众所周知的传统超导体上进行了测试。我们的模拟表明，Plastonic SCDFT在预测和测量的T_C之间导致了良好的一致性。虽然Eliasshberg理论相当高估了介质介导的配对和。所以。 t_c。另一方面，混合方法使得靠近SCDFT的结果和总体上与实验相一致。

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《Physical review.B.Condensed matter and materials physics》 |2020年第21期|214508.1-214508.10|共10页
作者
A. Davydov; A. Sanna; C. Pellegrini; J. K. Dewhurst; S. Sharma; E. K. U. Gross;
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Department of Physics University of Zurich 8057 Zurich Switzerland;

Max-Planck-Institut fuer Mikrostruklurphysik D-06120 Halle Germany;

Fritz Haber Center for Molecular Dynamics Institute of Chemistry The Hebrew University of Jerusalem Jerusalem 91904 Israel;

Max-Planck-Institut fuer Mikrostruklurphysik D-06120 Halle Germany;

Max-Born-Institut fuer Nichtlineare Optik und Kurzzeitspektroskopie 12489 Berlin Germany;

Fritz Haber Center for Molecular Dynamics Institute of Chemistry The Hebrew University of Jerusalem Jerusalem 91904 Israel;

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Ab initio theory of plasmonic superconductivity within the Eliashberg and density-functional formalisms

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