uu.seUppsala University Publications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Advanced first-principles theory of superconductivity including both lattice vibrations and spin fluctuations: The case of FeB4
Department of Physics, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp, Belgium.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Department of Physics, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp, Belgium.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.ORCID iD: 0000-0002-9069-2631
Show others and affiliations
2018 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 97, no 1, article id 014503Article in journal (Refereed) Published
Abstract [en]

We present an advanced method to study spin fluctuations in superconductors quantitatively and entirely fromfirst principles. This method can be generally applied to materials where electron-phonon coupling and spinfluctuations coexist. We employ it here to examine the recently synthesized superconductor iron tetraboride(FeB4) with experimentalTc∼2.4K[H.Gouet al.,Phys.Rev.Lett.111,157002(2013)]. We prove thatFeB4is particularly prone to ferromagnetic spin fluctuations due to the presence of iron, resulting in a largeStoner interaction strength,I=1.5 eV, as calculated from first principles. The other important factor is itsFermi surface that consists of three separate sheets, among which two are nested ellipsoids. The resultingsusceptibility has a ferromagnetic peak aroundq=0, from which we calculated the repulsive interaction betweenCooper pair electrons using the random phase approximation. Subsequently, we combined the electron-phononinteraction calculated from first principles with the spin fluctuation interaction in fully anisotropic Eliashbergtheory calculations. We show that the resulting superconducting gap spectrum is conventional, yet very stronglydepleted due to coupling to the spin fluctuations. The critical temperature decreases from Tc=41 K, if they arenot taken into account, toTc=1.7 K, in good agreement with the experimental value.

Place, publisher, year, edition, pages
American Physical Society , 2018. Vol. 97, no 1, article id 014503
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-337870DOI: 10.1103/PhysRevB.97.014503ISI: 000419229100004OAI: oai:DiVA.org:uu-337870DiVA, id: diva2:1171045
Funder
Swedish Research CouncilSwedish National Infrastructure for Computing (SNIC)Available from: 2018-01-05 Created: 2018-01-05 Last updated: 2018-02-14Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full text

Authority records BETA

Aperis, AlexOppeneer, Peter M.

Search in DiVA

By author/editor
Aperis, AlexOppeneer, Peter M.
By organisation
Materials Theory
In the same journal
Physical Review B
Condensed Matter Physics

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 40 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf