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      Correlating Josephson supercurrents and Shiba states in quantum spins unconventionally coupled to superconductors

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          Abstract

          Local spins coupled to superconductors give rise to several emerging phenomena directly linked to the competition between Cooper pair formation and magnetic exchange. These effects are generally scrutinized using a spectroscopic approach which relies on detecting the in-gap bound modes arising from Cooper pair breaking, the so-called Yu-Shiba-Rusinov (YSR) states. However, the impact of local magnetic impurities on the superconducting order parameter remains largely unexplored. Here, we use scanning Josephson spectroscopy to directly visualize the effect of magnetic perturbations on Cooper pair tunneling between superconducting electrodes at the atomic scale. By increasing the magnetic impurity orbital occupation by adding one electron at a time, we reveal the existence of a direct correlation between Josephson supercurrent suppression and YSR states. Moreover, in the metallic regime, we detect zero bias anomalies which break the existing framework based on competing Kondo and Cooper pair singlet formation mechanisms. Based on first-principle calculations, these results are rationalized in terms of unconventional spin-excitations induced by the finite magnetic anisotropy energy. Our findings have far reaching implications for phenomena that rely on the interplay between quantum spins and superconductivity.

          Abstract

          The impact of local magnetic impurities on superconducting order parameter remains largely unexplored. Here, the authors visualize the effect of different magnetic perturbations on a superconductor, unveiling a rich correlation of the interplay between quantum spins and superconductivity in different spectroscopic regimes.

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          Most cited references51

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          QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials.

          QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). The acronym ESPRESSO stands for opEn Source Package for Research in Electronic Structure, Simulation, and Optimization. It is freely available to researchers around the world under the terms of the GNU General Public License. QUANTUM ESPRESSO builds upon newly-restructured electronic-structure codes that have been developed and tested by some of the original authors of novel electronic-structure algorithms and applied in the last twenty years by some of the leading materials modeling groups worldwide. Innovation and efficiency are still its main focus, with special attention paid to massively parallel architectures, and a great effort being devoted to user friendliness. QUANTUM ESPRESSO is evolving towards a distribution of independent and interoperable codes in the spirit of an open-source project, where researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes.
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            Restoring the density-gradient expansion for exchange in solids and surfaces.

            Popular modern generalized gradient approximations are biased toward the description of free-atom energies. Restoration of the first-principles gradient expansion for exchange over a wide range of density gradients eliminates this bias. We introduce a revised Perdew-Burke-Ernzerhof generalized gradient approximation that improves equilibrium properties of densely packed solids and their surfaces.
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              Advanced capabilities for materials modelling with Quantum ESPRESSO

              Quantum EXPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudopotential and projector-augmented-wave approaches. Quantum EXPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement their ideas. In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software.
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                Author and article information

                Contributors
                s.lounis@fz-juelich.de
                stuart.parkin@mpi-halle.mpg.de
                paolo.sessi@mpi-halle.mpg.de
                Journal
                Nat Commun
                Nat Commun
                Nature Communications
                Nature Publishing Group UK (London )
                2041-1723
                17 February 2021
                17 February 2021
                2021
                : 12
                : 1108
                Affiliations
                [1 ]GRID grid.450270.4, ISNI 0000 0004 0491 5558, Max Planck Institute of Microstructure Physics, ; Halle, Germany
                [2 ]GRID grid.494742.8, Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich & JARA, ; Jülich, Germany
                [3 ]GRID grid.5718.b, ISNI 0000 0001 2187 5445, Faculty of Physics, , University of Duisburg-Essen, ; Duisburg, Germany
                Author information
                http://orcid.org/0000-0001-9188-8487
                http://orcid.org/0000-0002-5618-6727
                http://orcid.org/0000-0002-7077-1244
                http://orcid.org/0000-0003-2573-2841
                http://orcid.org/0000-0003-4702-6139
                http://orcid.org/0000-0003-1261-0386
                Article
                21347
                10.1038/s41467-021-21347-5
                7889868
                33597519
                f19215b9-dac4-4748-b990-972c76f89b2c
                © The Author(s) 2021

                Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

                History
                : 18 July 2020
                : 20 January 2021
                Categories
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                © The Author(s) 2021

                Uncategorized
                superconducting properties and materials,surfaces, interfaces and thin films,magnetic properties and materials

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