We use the numerical renormalization group theory to investigate the Yu-Shiba-Rusinov (YSR) bound state properties of single magnetic molecules placed in an s-wave superconducting substrate. The molecule consist of a large core spin and a single orbital, coupled via an exchange interaction. The critical Coulomb interaction for the singlet/doublet transition decreases in the presence of this exchange interaction for both ferro and anti-ferromagnetic couplings. The number of YSR states also increase to two pairs, however, in the singlet phase, one of the pairs have zero spectral weight. We explore the evolution of the in-gap states using the Anderson model. Away from the particle-hole symmetry point, the results suggest a doublet-singlet-doublet transition as the on-site energy is lowered while keeping the Coulomb interaction fixed. To understand these results, we write down an effective model for the molecule in the limit of large superconducting order parameter. Qualitatively, it explains the various phase transitions and spectral nature of the in-gap states. Finally, we analyze the effects of magnetic anisotropic fields of the core spin on in-gap states. Due to internal degrees of freedom of the spin excited states, a multitude of new states emerges within the gap. Depending on the sign and strength of the uniaxial anisotropic field, the results indicate up to three pairs of YSR states.
Chains of magnetic adatoms on superconductors have been discussed as promising systems for realizing Majorana end states. Here, we show that dilute Yu-Shiba-Rusinov (YSR) chains are also a versatile platform for quantum magnetism and correlated electron dynamics, with widely adjustable spin values and couplings. Focusing on subgap excitations, we derive an extended $t-J$ model for dilute quantum YSR chains and use it to study the phase diagram as well as tunneling spectra. We explore the implications of quantum magnetism for the formation of a topological superconducting phase, contrasting it …
The local magnetic moment of an interacting quantum dot occupied by a single electron can be screened by binding a Bogoliubov quasiparticle from a nearby superconductor. This gives rise to a long-lived discrete spin-singlet state inside the superconducting gap, known as the Yu-Shiba-Rusinov (YSR) state. We study the nature of the subgap states induced by a quantum dot embedded between two small superconducting islands. We show that this system has two spin-singlet subgap states with different spatial charge distributions. These states can be put in a linear superposition and coherently manipul…
We study topography of the spin-polarized bound states of magnetic impurities embedded in triangular lattice of a superconducting host. Such states have been observed experimentally in 2H-NbSe$_{2}$ crystal [G. C. M'enard et al., Nat.Phys. 11, 1013 (2015)] and revealed the oscillating particle-hole asymmetry extending to tens of nanometers. Using the Bogoliubov-de Gennes approach we explore the Yu-Shiba-Rusinov states in presence of spin-orbit interaction. We also study the bound states of double impurities for several relative positions in a triangular lattice.
Magnetic atoms can break the Cooper pairs of superconductors, leading to the formation of Yu-Shiba-Rusinov (YSR) bound states inside superconducting gaps. Theory predicts that the YSR bound states can be controlled by tuning the electron density at the Fermi energy, but it has not been studied deeply. In this work, we studied the nature of YSR bound states in response to the potential scattering U by tuning the electron density at the Fermi energy. By comparing two systems, Mn-phthalocyanine molecules on Pb(111) and Co atoms on PbSe/Pb(111), we demonstrate that the sign of U can be unambiguous…
By using scanning tunneling microscopy (STM) we find and characterize dispersive, energy-symmetric in-gap states in the iron-based superconductor $\mathrm{FeTe}_{0.55}\mathrm{Se}_{0.45}$, a material that exhibits signatures of topological superconductivity, and Majorana bound states at vortex cores or at impurity locations. We use a superconducting STM tip for enhanced energy resolution, which enables us to show that impurity states can be tuned through the Fermi level with varying tip-sample distance. We find that the impurity state is of the Yu-Shiba-Rusinov (YSR) type, and argue that the en…
We investigate the impact of a bosonic degree of freedom on Yu-Shiba-Rusinov (YSR) states emerging from a magnetic impurity in a conventional superconductor. Starting from the Anderson impurity model, we predict that an additional p-wave conduction band channel opens up if a bosonic mode is coupled to the tunnelling between impurity and host, which implies an additional pair of odd-parity YSR states. The bosonic mode can be a vibrational mode or the electromagnetic field in a cavity. The exchange couplings in the two channels depend sensitively on the state of the bosonic mode (ground state, f…
We re-examine the problem of a magnetic impurity coupled to a superconductor focusing on the role of quantum fluctuations. We study in detail, a system that consists of a one-dimensional charge conserving spin-singlet superconductor coupled to a boundary magnetic impurity. Our main finding is that quantum fluctuations lead to the destruction of Yu-Shiba-Rusinov (YSR) intra-gap bound-states in all but a narrow region of the phase diagram. We carry out our analysis in three stages, increasing the role of the quantum fluctuations at each stage. First we consider the limit of a classical impurity …
We theoretically consider a quantum magnetic impurity coupled to a superconductor, and obtain the local density of states at the position of the impurity taking into account the effect of spin-fluctuations and single-ion magnetic anisotropy. We particularly focus on the spectrum of subgap Yu-Shiba-Rusinov (YSR or Shiba) states induced by a quantum impurity with easy- or hard-axis uniaxial anisotropy. Although this is a relevant experimental situation in, e.g., magnetic adatoms on the surface of clean metals, it is customary that theoretical descriptions assume a classical-spin approximation wh…
Using the numerical renormalization group (NRG), we analyze the temperature dependence of the spectral function of a magnetic impurity described by the single-impurity Anderson model coupled to superconducting contacts. With increasing temperature the spectral weight is gradually transferred from the $δ$-peak (Shiba/Yu-Shiba-Rusinov/Andreev bound state) to the continuous sub-gap background, but both spectral features coexist at any finite temperature, i.e., the $δ$-peak itself persists to temperatures of order $Δ$. The continuous background is due to inelastic exchange scattering of Bogoliubov…
We demonstrate the formation of robust zero energy modes close to magnetic impurities in the iron-based superconductor FeSe$_{1-x}$Te$_x$. We find that the Zeeman field generated by the impurity favors a spin-triplet inter-orbital pairing as opposed to the spin-singlet intra-orbital pairing prevalent in the bulk. The preferred spin-triplet pairing preserves time-reversal symmetry and is topological, as robust, topologically-protected zero modes emerge at the boundary between regions with different pairing states. Moreover, the zero modes form Kramers doublets that are insensitive to the direct…
It is generally believed that superconductivity only weakly affects the indirect exchange between magnetic impurities. If the distance r between impurities is smaller than than the superconducting coherence length (r < ξ), this exchange is thought to be dominated by RKKY interactions, identical to the those in a normal metallic host. This perception is based upon a perturbative treatment of the exchange interaction. Here, we provide a non-perturbative analysis and demonstrate that the presence of Yu-Shiba-Rusinov bound states induces a strong 1/r^2 anti-ferromagnetic interaction that can domin…
We investigate the single and multiple defects embedded in a superconducting host, studying interplay between the proximity induced pairing and interactions. We explore influence of the spin-orbit coupling on energies, polarization and spatial patterns of the bound (Yu-Shiba-Rusinov) states of magnetic impurities in 2-dimensional square lattice. We also address the peculiar bound states in the proximitized Rashba chain, resembling the Majorana quasiparticles, focusing on their magnetic polarization which has been recently reported by S. Jeon et al., [Science 358, 772 (2017)]. Finally, we study…
Hybrid semiconductor-superconductor quantum dot devices are tunable physical realizations of quantum impurity models for a magnetic impurity in a superconducting host. The binding energy of the localized sub-gap Shiba states is set by the gate voltages and external magnetic field. In this work we discuss the effects of the Zeeman spin splitting which is generically present both in the quantum dot and in the (thin-film) superconductor. The unequal $g$-factors in semiconductor and superconductor materials result in respective Zeeman splittings of different magnitude. We consider both classical a…
We show that dilute magnetic impurities in a conventional superconductor give origin to an odd-frequency component of superconductivity, manifesting itself in Yu-Shiba-Rusinov bands forming within the bulk superconducting gap. Our results are obtained in a general model solved within the dynamical mean field theory. By exploiting a disorder analysis and the limit to a single impurity, we are able to provide general expressions that can be used to extract explicitly the odd-frequency superconducting function from scanning tunneling measurements.
We consider subgap bands induced in a two-dimensional superconductor by a densely packed chain of magnetic moments with ferromagnetic or spiral alignments. We show that by contrast with sparsely packed chains a consistent description requires that all wavelengths are taken into account for the scattering at the magnetic moments. The resulting subgap states are a composition of Yu-Shiba-Rusinov-type states and magnetic scattering states, whose mixture becomes especially important to understand the nature and dimensional renormalization of gap closures for spiral magnetic alignments under increa…
Magnetic impurities embedded in a metal are screened by the Kondo effect, signaled by the formation of an extended correlation cloud, the so-called Kondo or screening cloud. In a superconductor, the Kondo state turns into sub-gap Yu-Shiba-Rusinov (Shiba) states, and a quantum phase transition occurs between screened and unscreened phases once the superconducting energy gap $Δ$ becomes sufficiently large compared to the Kondo temperature, $T_K$. Here we show that, although the Kondo state does not form in the unscreened phase, the Kondo cloud does exist in both quantum phases. However, while sc…
We study the spin-polarized spectral properties of Yu-Shiba-Rusinov resonance states induced by magnetic impurities in 2- and 3-dimensional nematic superconductors: few layer Bi$_2$Te$_3$ grown on FeTe$_{0.55}$Se$_{0.45}$ (2-dimensional) and Cu$_x$Bi$_2$Se$_3$ (3-dimensional). We focus on the relationship between pairing symmetry and the topograph of spin-polarized spectroscopy. We calculate the spin-polarized local density of states (SP LDOS) and the corresponding Fourier transformation using the $T$-matrix method for both the 2- and 3-dimensional materials. Various situations with different …
Using the numerical renormalization group method, the effect due to a Kondo impurity in an $s$-wave superconductor is examined at finite temperature ($T$). The $T$-behaviors of the spectral function and the magnetic moment at the impurity site are calculated. At $T$=0, the spin due to the impurity is in singlet state when the ratio between the Kondo temperature $T_k$ and the superconducting gap $Δ$ is larger than 0.26. Otherwise, the spin of the impurity is in a doublet state. We show that the separation of the double Yu-Shiba-Rusinov peaks in the spectral function shrinks as $T$ increases if …
Double quantum dot nanostructures embedded between two superconducting leads or in a superconducting ring have complex excitation spectra inside the gap which reveal the competition between different many-body phenomena. We study the corresponding two-impurity Anderson model using the non-perturbative numerical renormalization group (NRG) technique and identify the characteristic features in the spectral function in various parameter regimes. At half-filling, the system always has a singlet ground state. For large hybridization, we observe an inversion of excited inter-dot triplet and singlet …
We show that superconducting currents are generated around magnetic impurities and ferromagnetic islands proximity-coupled to superconductors with finite spin-orbit coupling. Using the Ginzburg-Landau theory, T-matrix calculation, as well as self-consistent numerical simulation on a lattice, we find a strong dependence of the current on the direction and magnitude of the magnetic moment. We establish that in the case of point magnetic impurities, the current is carried by the induced Yu-Shiba-Rusinov (YSR) subgap states. In the vicinity of the phase transition, where the YSR states cross at ze…
