Density-functional description of materials for topological qubits and superconducting spintronics

Abstract

Interfacing superconductors with magnetic or topological materials offers a playground where novel phenomena like topological superconductivity, Majorana zero modes, or superconducting spintronics are emerging. In this work, we discuss recent developments in the Kohn-Sham Bogoliubov-de Gennes method, which allows to perform material-specific simulations of complex superconducting heterostructures on the basis of density functional theory. As a model system we study magnetically-doped Pb. In our analysis we focus on the interplay of magnetism and superconductivity. This combination leads to Yu-Shiba-Rusinov (YSR) in-gap bound states at magnetic defects and the breakdown of superconductivity at larger impurity concentrations. Moreover, the influence of spin-orbit coupling and on orbital splitting of YSR states as well as the appearance of a triplet component in the order parameter is discussed. These effects can be exploited in S/F/S-type devices (S=superconductor, F=ferromagnet) in the field of superconducting spintronics.

References in corpus (33)

• Van der Waals heterostructures
• Unpaired Majorana fermions in quantum wires
• Observation of Majorana Fermions in Ferromagnetic Atomic Chains on a Superconductor
• Superconducting Spintronics
• Spin-polarized supercurrents for spintronics: a review of current progress
• Realization of the field-free Josephson Diode
• Ab-initio theory of superconductivity - I: Density functional formalism and approximate functionals
• AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance
• Long range coherent magnetic bound states in superconductors
• Superconductivity in lithium, potassium and aluminium under extreme pressure: A first-principles study
• Orbital Picture of Yu-Shiba-Rusinov Multiplets
• Experimental demonstration of a two-band superconducting state for lead using scanning tunneling spectroscopy
• The local spectrum of a superconductor as a probe of interactions between magnetic impurities
• Interfacial Spin-Orbit Coupling: New Platform for Superconducting Spintronics
• Yu-Shiba-Rusinov states in real metals
• Quantitative Theory of Triplet Pairing in the Unconventional Superconductor LaNiGa${}_2$
• Multiple scattering theory for superconducting heterostructures
• Correlating Josephson supercurrents and Shiba states in quantum spins unconventionally coupled to superconductors
• Gap Anisotropy in Multiband Superconductors Based on Multiple Scattering Theory
• Supercurrent decay in ballistic magnetic Josephson junctions
• Density functional Bogoliubov-de Gennes analysis of superconducting Nb and Nb(110) surfaces
• Relativistic first principles theory of Yu--Shiba--Rusinov states applied to an Mn adatom and Mn dimers on Nb(110)
• The AiiDA-KKR plugin and its application to high-throughput impurity embedding into a topological insulator
• Real-space multiple scattering theory for superconductors with impurities
• First-principles approach to thin superconducting slabs and heterostructures
• Prediction of superconducting transition temperatures of heterostructures based on first principles
• Isotropic single gap superconductivity of elemental Pb: the `smiling' approach
• Intrinsic finite-energy Cooper pairing in $j=3/2$ superconductors
• Proximity effect in a superconductor-topological insulator heterostructure based on first principles
• Full orbital decomposition of Yu-Shiba-Rusinov states based on first principles
• Inter-orbital Cooper pairing at finite energies in Rashba surface states
• Proximity induced superconductivity in a topological insulator
• Magnetic impurities on superconducting Pb surfaces