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

62 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	American 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

Bibliographical note

Funding Information:
Acknowledgments J.A.F.-L. acknowledges the computational resources under the project s752 from the Swiss National Supercomputing Center (CSCS) in Lugano.

Publisher Copyright:
©2018 The Physical Society of Japan

Access to Document

10.7566/JPSJ.87.041012

Cite this

@article{40eacdd7383a492a9175b380bd0eab57,

title = "Ab initio eliashberg theory: Making genuine predictions of superconducting features",

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.",

author = "Antonio Sanna and Flores-Livas, {Jos{\'e} A.} and Arkadiy Davydov and Gianni Profeta and Kay Dewhurst and Sangeeta Sharma and Gross, {E. K.U.}",

note = "Funding Information: Acknowledgments J.A.F.-L. acknowledges the computational resources under the project s752 from the Swiss National Supercomputing Center (CSCS) in Lugano. Publisher Copyright: {\textcopyright}2018 The Physical Society of Japan",

year = "2018",

doi = "10.7566/JPSJ.87.041012",

language = "American English",

volume = "87",

journal = "Journal of the Physical Society of Japan",

issn = "0031-9015",

publisher = "Physical Society of Japan",

number = "4",

}

TY - JOUR

T1 - Ab initio eliashberg theory

T2 - Making genuine predictions of superconducting features

AU - Sanna, Antonio

AU - Flores-Livas, José A.

AU - Davydov, Arkadiy

AU - Profeta, Gianni

AU - Dewhurst, Kay

AU - Sharma, Sangeeta

AU - Gross, E. K.U.

N1 - Funding Information: Acknowledgments J.A.F.-L. acknowledges the computational resources under the project s752 from the Swiss National Supercomputing Center (CSCS) in Lugano. Publisher Copyright: ©2018 The Physical Society of Japan

PY - 2018

Y1 - 2018

N2 - 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.

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.

UR - http://www.scopus.com/inward/record.url?scp=85043699710&partnerID=8YFLogxK

U2 - 10.7566/JPSJ.87.041012

DO - 10.7566/JPSJ.87.041012

M3 - Article

AN - SCOPUS:85043699710

SN - 0031-9015

VL - 87

JO - Journal of the Physical Society of Japan

JF - Journal of the Physical Society of Japan

IS - 4

M1 - 041012

ER -

Ab initio eliashberg theory: Making genuine predictions of superconducting features

Abstract

Bibliographical note

Access to Document

Other files and links

Fingerprint

Cite this