Deutsch
 
Hilfe Datenschutzhinweis Impressum
  DetailsucheBrowse

Datensatz

DATENSATZ AKTIONENEXPORT
  Direct evaluation of the isotope effect within the framework of density functional theory for superconductors

Lüders, M., Cudazzo, P., Profeta, G., Continenza, A., Massidda, S., Sanna, A., et al. (2019). Direct evaluation of the isotope effect within the framework of density functional theory for superconductors. Journal of Physics: Condensed Matter, 31(33): 334001. doi:10.1088/1361-648X/ab20b0.

Item is

Basisdaten

einblenden: ausblenden:
Genre: Zeitschriftenartikel

Dateien

einblenden: Dateien
ausblenden: Dateien
:
Lüders_2019_J._Phys.__Condens._Matter_31_334001.pdf (Verlagsversion), 2MB
Name:
Lüders_2019_J._Phys.__Condens._Matter_31_334001.pdf
Beschreibung:
Original content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI.
OA-Status:
Sichtbarkeit:
Öffentlich
MIME-Typ / Prüfsumme:
application/pdf / [MD5]
Technische Metadaten:
Copyright Datum:
2019
Copyright Info:
© IOP Publishing Ltd

Externe Referenzen

einblenden:
ausblenden:
externe Referenz:
https://dx.doi.org/10.1088/1361-648X/ab20b0 (Verlagsversion)
Beschreibung:
-
OA-Status:

Urheber

einblenden:
ausblenden:
 Urheber:
Lüders, M.1, 2, Autor           
Cudazzo, P.3, 4, Autor
Profeta, G.3, 4, Autor
Continenza, A.5, Autor
Massidda, S.6, Autor
Sanna, A.7, Autor
Gross, E. K. U.7, Autor
Affiliations:
1Daresbury Laboratory, UK, ou_persistent22              
2Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
3Dipartimento di Scienze Fisiche e Chimiche, Università degli Studi dell’ Aquila, ou_persistent22              
4CNR­SPIN institute, ou_persistent22              
5Dipartimento di Fisica, Università degli Studi dell’ Aquila, ou_persistent22              
6Dipartimento di Scienze Fisiche, Università degli Studi di Cagliari, ou_persistent22              
7Max Planck Institute of Microstructure Physics, ou_persistent22              

Inhalt

einblenden:
ausblenden:
Schlagwörter: isotope effect, CaC6, superconductivity, SCDFT
 Zusammenfassung: Within recent developments of density functional theory, its numerical implementation and of the superconducting density functional theory is nowadays possible to predict the superconducting critical temperature, Tc, with sufficient accuracy to anticipate the experimental verification. In this paper we present an analytical derivation of the isotope coefficient within the superconducting density functional theory. We calculate the partial derivative of Tc with respect to atomic masses. We verified the final expression by means of numerical calculations of isotope coefficient in monatomic superconductors (Pb) as well as polyatomic superconductors (CaC6). The results confirm the validity of the analytical derivation with respect to the finite difference methods, with considerable improvement in terms of computational time and calculation accuracy. Once the critical temperature is calculated (at the reference mass(es)), various isotope exponents can be simply obtained in the same run. In addition, we provide the expression of interesting quantities like partial derivatives of the deformation potential, phonon frequencies and eigenvectors with respect to atomic masses, which can be useful for other derivations and applications.

Details

einblenden:
ausblenden:
Sprache(n): eng - English
 Datum: 2019-04-222019-01-182019-05-092019-05-312019-08-21
 Publikationsstatus: Erschienen
 Seiten: -
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1088/1361-648X/ab20b0
 Art des Abschluß: -

Veranstaltung

einblenden:

Entscheidung

einblenden:

Projektinformation

einblenden:

Quelle 1

einblenden:
ausblenden:
Titel: Journal of Physics: Condensed Matter
  Kurztitel : J. Phys. Condens. Matter.
Genre der Quelle: Zeitschrift
 Urheber:
Affiliations:
Ort, Verlag, Ausgabe: Bristol : IOP Publishing
Seiten: - Band / Heft: 31 (33) Artikelnummer: 334001 Start- / Endseite: - Identifikator: ISSN: 0953-8984
CoNE: https://pure.mpg.de/cone/journals/resource/954928562478