Electron-phonon coupling and superconducting critical temperature of the YIr2Si2 and LaIr2Si2 high-temperature polymorphs from first-principles

David Billington; Simon A C Nickau; Tom Farley; Jack R. Ward; Rosie F. Sperring; Thomas E. Millichamp; David Ernsting; Stephen B. Dugdale

doi:10.7566/JPSJ.83.044710

Electron-phonon coupling and superconducting critical temperature of the YIr₂Si₂ and LaIr₂Si₂ high-temperature polymorphs from first-principles

David Billington, Simon A C Nickau, Tom Farley, Jack R. Ward, Rosie F. Sperring, Thomas E. Millichamp, David Ernsting, Stephen B. Dugdale

School of Physics

Research output: Contribution to journal › Article (Academic Journal) › peer-review

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Abstract

Ab initio calculations of the electronic structure and lattice-vibrational properties were performed on the superconducting high-temperature polymorphs of YIr₂Si₂ and LaIr₂Si₂. The electron-phonon coupling constants ep were found to be 0.61 and 0.56 for YIr₂Si₂ and LaIr₂Si₂, respectively. The superconducting critical temperatures estimated from the Allen-Dynes formula agree well with the available experimental data and indicate that the superconductivity in these compounds can be explained by intermediate strength electron-phonon coupling.

Original language	English
Article number	044710
Number of pages	5
Journal	Journal of the Physical Society of Japan
Volume	83
Issue number	4
Early online date	19 Mar 2014
DOIs	https://doi.org/10.7566/JPSJ.83.044710
Publication status	Published - 15 Apr 2014

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rir2si2_revtexAccepted author manuscript, 3.83 MB

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Billington, D., Nickau, S. A. C., Farley, T., Ward, J. R., Sperring, R. F., Millichamp, T. E., Ernsting, D., & Dugdale, S. B. (2014). Electron-phonon coupling and superconducting critical temperature of the YIr₂Si₂ and LaIr₂Si₂ high-temperature polymorphs from first-principles. Journal of the Physical Society of Japan, 83(4), Article 044710. https://doi.org/10.7566/JPSJ.83.044710

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title = "Electron-phonon coupling and superconducting critical temperature of the YIr2Si2 and LaIr2Si2 high-temperature polymorphs from first-principles",

abstract = "Ab initio calculations of the electronic structure and lattice-vibrational properties were performed on the superconducting high-temperature polymorphs of YIr2Si2 and LaIr2Si2. The electron-phonon coupling constants ep were found to be 0.61 and 0.56 for YIr2Si2 and LaIr2Si2, respectively. The superconducting critical temperatures estimated from the Allen-Dynes formula agree well with the available experimental data and indicate that the superconductivity in these compounds can be explained by intermediate strength electron-phonon coupling.",

author = "David Billington and Nickau, \{Simon A C\} and Tom Farley and Ward, \{Jack R.\} and Sperring, \{Rosie F.\} and Millichamp, \{Thomas E.\} and David Ernsting and Dugdale, \{Stephen B.\}",

year = "2014",

month = apr,

day = "15",

doi = "10.7566/JPSJ.83.044710",

language = "English",

volume = "83",

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

issn = "0031-9015",

publisher = "Physical Society of Japan",

number = "4",

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Electron-phonon coupling and superconducting critical temperature of the YIr₂Si₂ and LaIr₂Si₂ high-temperature polymorphs from first-principles. / Billington, David; Nickau, Simon A C; Farley, Tom et al.
In: Journal of the Physical Society of Japan, Vol. 83, No. 4, 044710, 15.04.2014.

Research output: Contribution to journal › Article (Academic Journal) › peer-review

TY - JOUR

T1 - Electron-phonon coupling and superconducting critical temperature of the YIr2Si2 and LaIr2Si2 high-temperature polymorphs from first-principles

AU - Billington, David

AU - Nickau, Simon A C

AU - Farley, Tom

AU - Ward, Jack R.

AU - Sperring, Rosie F.

AU - Millichamp, Thomas E.

AU - Ernsting, David

AU - Dugdale, Stephen B.

PY - 2014/4/15

Y1 - 2014/4/15

N2 - Ab initio calculations of the electronic structure and lattice-vibrational properties were performed on the superconducting high-temperature polymorphs of YIr2Si2 and LaIr2Si2. The electron-phonon coupling constants ep were found to be 0.61 and 0.56 for YIr2Si2 and LaIr2Si2, respectively. The superconducting critical temperatures estimated from the Allen-Dynes formula agree well with the available experimental data and indicate that the superconductivity in these compounds can be explained by intermediate strength electron-phonon coupling.

AB - Ab initio calculations of the electronic structure and lattice-vibrational properties were performed on the superconducting high-temperature polymorphs of YIr2Si2 and LaIr2Si2. The electron-phonon coupling constants ep were found to be 0.61 and 0.56 for YIr2Si2 and LaIr2Si2, respectively. The superconducting critical temperatures estimated from the Allen-Dynes formula agree well with the available experimental data and indicate that the superconductivity in these compounds can be explained by intermediate strength electron-phonon coupling.

UR - https://www.scopus.com/pages/publications/84897527863

U2 - 10.7566/JPSJ.83.044710

DO - 10.7566/JPSJ.83.044710

M3 - Article (Academic Journal)

AN - SCOPUS:84897527863

SN - 0031-9015

VL - 83

JO - Journal of the Physical Society of Japan

JF - Journal of the Physical Society of Japan

IS - 4

M1 - 044710

ER -

Electron-phonon coupling and superconducting critical temperature of the YIr₂Si₂ and LaIr₂Si₂ high-temperature polymorphs from first-principles

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Fermiology and spin densities from high energy X-Ray scattering

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Electron-phonon coupling and superconducting critical temperature of the YIr2Si2 and LaIr2Si2 high-temperature polymorphs from first-principles

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Fermiology and spin densities from high energy X-Ray scattering

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HPC (High Performance Computing) and HTC (High Throughput Computing) Facilities

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Electron-phonon coupling and superconducting critical temperature of the YIr₂Si₂ and LaIr₂Si₂ high-temperature polymorphs from first-principles