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First-principles based theory of spin-orbit coupling induced triplet pairing: Application to the superconducting ground state of rhenium

Csire, Gábor, Annett, James F, Quintanilla, Jorge, Újfalussy, Balázs (2020) First-principles based theory of spin-orbit coupling induced triplet pairing: Application to the superconducting ground state of rhenium. arXiv.org, . (Unpublished) (doi:arXiv:2005.05702) (KAR id:81194)

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https://arxiv.org/abs/2005.05702

Abstract

Recent μSR measurements revealed that spontaneous magnetism exists in the superconducting state of rhenium and it also appears in other rhenium based materials like Re6Zr, Re6Hf, Re6Ti. The superconducting state of these materials show s-wave-like properties and the pairing mechanism is most likely driven by electron-phonon coupling. In this paper we take elemental rhenium as a testbed and investigate its ground state. By developing an LCAO formalism for the solution of the spin-generalized Bogoliubov-de Gennes equation we use every details of the first-principles band-structure together with spin-orbit coupling. In this paper we provide a possible explanation of the spontaneous time-reverseal symmetry breaking in the superconducting ground state of rhenium by arguing that taking into account the orbital degrees of freedom, spin-orbit coupling is inducing even-parity odd-orbital spin triplet Cooper pairs, and Cooper pairs' migration between the equal-spin triplet states may lower the total energy. We show how magnetism emerges and the structure of the gap changes as a function of the triplet component of the interaction strength.

Item Type: Article
DOI/Identification number: arXiv:2005.05702
Uncontrolled keywords: Physics of Quantum Materials, Superconductors, DFT, First-principles, Condensed Matter Theory
Subjects: Q Science > QC Physics > QC173.45 Condensed Matter
Q Science
Q Science > QC Physics
Divisions: Faculties > Sciences > School of Physical Sciences
Faculties > Sciences > School of Physical Sciences > Functional Materials Group
Depositing User: Jorge Quintanilla Tizon
Date Deposited: 13 May 2020 09:15 UTC
Last Modified: 14 May 2020 08:44 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/81194 (The current URI for this page, for reference purposes)
Quintanilla, Jorge: https://orcid.org/0000-0002-8572-730X
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