Ab initio eliashberg theory: Making genuine predictions of superconducting features

Antonio Sanna; José A. Flores-Livas; Arkadiy Davydov; Gianni Profeta; Kay Dewhurst; Sangeeta Sharma; E. K.U. Gross

doi:10.7566/JPSJ.87.041012

Ab initio eliashberg theory: Making genuine predictions of superconducting features

Antonio Sanna^*, José A. Flores-Livas, Arkadiy Davydov, Gianni Profeta, Kay Dewhurst, Sangeeta Sharma, E. K.U. Gross

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

79 Scopus citations

Abstract

We present an application of Eliashberg theory of superconductivity to study a set of novel superconducting systems with a wide range of structural and chemical properties. The set includes three intercalated group-IV honeycomb layered structures, SH₃ at 200 GPa (the superconductor with the highest measured critical temperature), the similar system SeH₃ at 150 GPa, and a lithium doped mono-layer of black phosphorus. The theoretical approach we adopt is a recently developed, fully ab initio Eliashberg approach that takes into account the Coulomb interaction in a full energy-resolved fashion avoiding any free parameters like μ⁺. This method provides reasonable estimations of superconducting properties, including T_C and the excitation spectra of superconductors.

Original language	English
Article number	041012
Journal	Journal of the Physical Society of Japan
Volume	87
Issue number	4
DOIs	https://doi.org/10.7566/JPSJ.87.041012
State	Published - 2018
Externally published	Yes

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©2018 The Physical Society of Japan

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abstract = "We present an application of Eliashberg theory of superconductivity to study a set of novel superconducting systems with a wide range of structural and chemical properties. The set includes three intercalated group-IV honeycomb layered structures, SH3 at 200 GPa (the superconductor with the highest measured critical temperature), the similar system SeH3 at 150 GPa, and a lithium doped mono-layer of black phosphorus. The theoretical approach we adopt is a recently developed, fully ab initio Eliashberg approach that takes into account the Coulomb interaction in a full energy-resolved fashion avoiding any free parameters like μ+. This method provides reasonable estimations of superconducting properties, including TC and the excitation spectra of superconductors.",

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AU - Sanna, Antonio

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AU - Profeta, Gianni

AU - Dewhurst, Kay

AU - Sharma, Sangeeta

AU - Gross, E. K.U.

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AB - We present an application of Eliashberg theory of superconductivity to study a set of novel superconducting systems with a wide range of structural and chemical properties. The set includes three intercalated group-IV honeycomb layered structures, SH3 at 200 GPa (the superconductor with the highest measured critical temperature), the similar system SeH3 at 150 GPa, and a lithium doped mono-layer of black phosphorus. The theoretical approach we adopt is a recently developed, fully ab initio Eliashberg approach that takes into account the Coulomb interaction in a full energy-resolved fashion avoiding any free parameters like μ+. This method provides reasonable estimations of superconducting properties, including TC and the excitation spectra of superconductors.

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Ab initio eliashberg theory: Making genuine predictions of superconducting features

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