Quantum modulation of the Kondo resonance of Co adatoms on Cu/Co/Cu(100)
Takashi Uchihashi, Jianwei Zhang, Joerg Kroeger, Richard Berndt
备注：
5 pages, Nature of the changes: After our submission, Brovko et al. reported ab initio calculations addressing the exchange interaction of exactly the system we have investigated experimentally (arXiv:0804.3298). We have modified the manuscript to stress the significance of our paper that promises experimental feasibility of such a prediction
Low-temperature scanning tunneling spectroscopy reveals that the Kondo temperature T_K of Co atoms adsorbed on Cu/Co/Cu(100) multilayers varies between 60 K and 134 K as the Cu film thickness decreases from 20 to 5 atomic layers. The observed change of T_K is attributed to a variation of the density of states at the Fermi level ρ_F induced by quantum well states confined to the Cu film. A model calculation based on the quantum oscillations of ρ_F at the belly and the neck of the Cu Fermi surface reproduces most of the features in the measured variation of T_K.
We investigate the bias dependence of the tunneling conductance between a spin-polarized (SP) scanning tunneling microscope (STM) tip and the surface conduction states of a normal metal with a Kondo adatom. Quantum interference between tip-host metal and tip-adatom-host metal conduction paths is studied in the full range of the Fano parameter $q$. The spin-polarized STM gives rise to a splitting of the Kondo peak and asymmetry in the zero-bias anomaly depending on the lateral tip-adatom distance. For increasing lateral distances, the Kondo peak-splitting shows a strong suppression and the spin…
We theoretically investigate the spin-resolved local density of states (SR-LDOS) of a spin-polarized two-dimensional electron gas in the presence of a Kondo adatom and a STM probe. Using Green function formalism and the atomic approach in the limit of infinite Coulomb correlation, it is found an analytical SR-LDOS expression in the low temperature regime of the system. This formal result is given in terms of phase shifts originated by the adatom scattering and Fano interference. The SR-LDOS is investigated as a function of the probe position and different Fano factors. Our findings provide an …
We theoretically investigate the thermoelectric properties of a spin-polarized two-dimensional electron gas hosting a Kondo adatom hybridized with an STM tip. Such a setup is treated within the single-impurity Anderson model in combination with the atomic approach for the Green's functions. Due to the spin dependence of the Fermi wavenumbers the electrical and thermal conductances, together with thermopower and Lorenz number reveal beating patterns as function of the STM tip position in the Kondo regime. In particular, by tuning the lateral displacement of the tip with respect to the adatom vi…
We have studied the effect of dynamical correlations on the electronic structure of single Co adatoms on graphene monolayers with a recently developed novel method for nanoscopic materials that combines density functional calculations with a fully dynamical treatment of the strongly interacting 3d-electrons. The coupling of the Co 3d-shell to the graphene substrate and hence the dynamic correlations are strongly dependent on the orbital symmetry and the system parameters (temperature, distance of the adatom from the graphene sheet, gate voltage). When the Kondo effect takes place, we find that…
We study the Kondo effect of a single magnetic adatom on the surface of graphene. It was shown that the unique linear dispersion relation near the Dirac points in graphene makes it more easy to form the local magnetic moment, which simply means that the Kondo resonance can be observed in a more wider parameter region than in the metallic host. The result indicates that the Kondo resonance indeed can form ranged from the Kondo regime, to the mixed valence, even to the empty orbital regime. While the Kondo resonance displays as a sharp peak in the first regime, it has a peak-dip structure and/or…
We consider the magnetic interaction of manganese phtalocyanine (MnPc) absorbed on Pb layers which were grown on a Si substrate. We perform an ab-initio calculation of the density of states and Kondo temperature as function of the number of Pb monolayers. Comparison to experimental data [Phys. Rev. Lett. 99, 256601 (2007)] then allows us to determine the exchange coupling constant J between the spins of the adsorbed molecules and those of the Pb host. This approach gives rise to a general and reliable method for obtaining J, by combining experimental and numerical results.
We study spin-dependent conductance in a system composed of a ferromagnetic (FM) Scanning Tunneling Microscope (STM) tip coupled to a metallic host surface with an adatom. The Kondo resonance is taken into account via the Doniach-Sunjic spectral function. For short lateral tip-adatom distances and due to the interplay between Kondo physics, quantum interfering effects and the ferromagnetism of the tip, a spin-splitting of the Fano-Kondo line shape arises in the conductance. A strong enhancement of the Fano-Kondo profile for the majority spin component of the FM tip is observed. When the tip is…
In terms of the state-of-the-art first principle computational methods combined with the numerical renormalization group technique the spectroscopic properties of Co adatoms deposited on silicene are analyzed. By establishing an effective low-energy Hamiltonian based on first principle calculations, we study the behavior of the local density of states of Co adatom on external parameters, such as magnetic field and gating. It is shown that the Kondo resonance with the Kondo temperature of the order of a few Kelvins can emerge by fine-tuning the chemical potential. The evolution and splitting of…
Based on ab-initio calculations we discuss Kondo effect due to Co adatom on graphene zigzag nanoribbon. Co atom located at hollow site behaves as spin S = 1/2 impurity with dxz and dyz orbitals contributing to magnetic moment. Dynamical correlations are analyzed with the use of complementary approximations: mean field slave boson approach, noncrossing approximation and equation of motion method. The impact of interplay between spin and orbital degrees of freedom together with the effect of peculiarities of electronic and magnetic structure of nanoribbon on many-body resonances is examined.
We study the interplay of the Kondo effect and spin-polarized tunneling in a class of systems exhibiting uniaxial magnetic anisotropy, such as magnetic molecules, magnetic adatoms, or quantum dots coupled to a single localized magnetic moment. Using the numerical renormalization group method we calculate the spectral functions and linear conductance in the Kondo regime. We show that the exchange coupling between conducting electrons and localized magnetic core generally leads to suppression of the Kondo effect. We also predict a nontrivial dependence of the tunnel magnetoresistance on the stre…
The zero-bias resonance in the dI/dV tunneling spectrum recorded using a scanning tunneling microscope above a spin-1/2 magnetic adatom (such as Ti) adsorbed on a decoupling layer on metal surface can be accurately fitted using the universal spectral function of the Kondo impurity model both at zero field and at finite external magnetic field. Excellent agreement is found both for the asymptotic low-energy part and for the high-energy logarithmic tails of the Kondo resonance. For finite magnetic field, the nonlinear fitting procedure consists in repeatedly solving the impurity model for differ…
The Kondo effect in the system consisting of a magnetic adatom on the graphene is studied. By using the non-equilibrium Green function method with the slave-boson mean field approximation, the local density of state (LDOS) and the conductance are calculated. For a doped graphene, the Kondo phase is present at all time. Surprisingly, two kinds of Kondo regimes are revealed. But for the undoped graphene, the Kondo phase only exists if the adatom's energy level is beyond a critical value. The conductance is similar to the LDOS, thus, the Kondo peak in the LDOS can be observed with the scanning tu…
Transport properties in the Kondo regime of a nanosystem displaying uniaxial magnetic anisotropy (such as a magnetic molecule, magnetic adatom or quantum dot coupled to a localized magnetic moment) are analyzed theoretically. In particular, the influence of spin-polarized transport through a local orbital of the system and exchange coupling of conduction electrons to the system's magnetic core on the Kondo effect is discussed. The numerical renormalization group method is applied to calculate the spectral functions and linear conductance in the case of the parallel and antiparallel configurati…
Intervalley scattering of carriers in graphene at `top' adatoms may give rise to a hidden Kekulé ordering pattern in the adatom positions. This ordering is the result of a rapid modulation in the electron-mediated interaction between adatoms at the wavevector $K- K'$, which has been shown experimentally and theoretically to dominate their spatial distribution. Here we show that the adatom interaction is extremely sensitive to strain in the supporting graphene, which leads to a characteristic spatial modulation of the Kekulé order as a function of adatom distance. Our results suggest that the s…
Based on reliable $ab\:initio$ computations and the numerical renormalization group method, systematic studies on a two-dimensional GaSe monolayer with a Co adatom have been carried out. It is shown that the stable lowest-energy configuration of the system involves the Co adatom located over Ga atom. For such configuration, it is demonstrated that the electronic and magnetic properties of the system can be effectively controlled by means of external factors, such as magnetic field, gate voltage or temperature. Moreover, if properly tuned, the GaSe-Co system can also exhibit the Kondo effect. T…
The magnetic moment of rare earth elements originates from electrons in the partially filled 4f orbitals. Accessing this moment electrically by scanning tunneling spectroscopy is hampered by shielding of outer-lying orbitals. Here we show that we can detect the magnetic moment of an individual Ce atom adsorbed on a Cu2N ultrathin film on Cu(100) by using a sensor tip that has its apex functionalized with a Kondo screened spin system. We calibrate the sensor tip by deliberately coupling it to a well characterized Fe atom. Subsequently, we use the splitting of the tip's Kondo resonance when appr…
We theoretically analyze a state-of-the-art experimental method based on a combination of electron spin resonance and scanning tunneling microscopy (ESR-STM), to directly probe the spin fluctuations in the Kondo effect. The Kondo impurity is exchange coupled to the probe spin, and the ESR-STM setup detects the small level shifts in the probe spin induced by the spin fluctuations of the Kondo impurity. We use the open quantum system approach by regarding the probe spin as the "system" and the Kondo impurity spin as the fluctuating "bath" to evaluate the resonance line shifts in terms of the dyn…
The observation of the Kondo effect in mesoscopic systems under bias$^{1,2}$ has opened a new chapter in the physics of the Kondo phenomenon. Various types of $dI/dV$, where $I$ and $V$ denote current and source-drain (s-d) bias, respectively, line shapes have been measured by scanning tunneling microscopy (STM)$^{1,3-11}$. However, explanation by single Fano line shape$^{1,12-16}$ is not relevant and even misleading. Here, we provide consistent explanations for various asymmetric and symmetric line shapes in terms of a microscopic theory that shows the creation of two resonant tunneling level…
Inelastic spin flip excitations associated with single-ion magnetic anisotropy of quantum spins, can be strongly renormalized by Kondo exchange coupling to the conduction electrons in the substrate, as shown recently for the case of Co adatoms on CuN$_2$ islands. In this case differential conductance spectra show zero-bias anomalies due to a Kondo effect of the doubly degenerate ground state, and finite-bias step features due to spin flip excitations. Here I consider spin-1 quantum magnets with positive uniaxial anisotropy, where the ground state is non-degenerate and hence the Kondo effect do…
The effects of finite temperature in transport through nanoscopic systems exhibiting uniaxial magnetic anisotropy D, such as molecular magnets, adatoms, or quantum dots side-coupled to a large spin are analyzed in the Kondo regime. The linear-response conductance is calculated by means of the full density-matrix numerical renormalization group method as a function of temperature T, magnetic anisotropy D, and exchange coupling J between the molecule's core spin and the orbital level. It is shown that such system displays a two-stage Kondo effect as a function of temperature and a quantum phase …
This article summarizes our understanding of the Kondo effect in graphene, primarily from a theoretical perspective. We shall describe different ways to create magnetic moments in graphene, either by adatom deposition or via defects. For dilute moments, the theoretical description is in terms of effective Anderson or Kondo impurity models coupled to graphene's Dirac electrons. We shall discuss in detail the physics of these models, including their quantum phase transitions and the effect of carrier doping, and confront this with existing experimental data. Finally, we point out connections to …
We investigate a lateral semiconductor quantum dot with a large number of electrons in the limit of strong coupling to the leads. A Kondo effect is observed and can be tuned in a perpendicular magnetic field. This Kondo effect does not exhibit Zeeman splitting. It shows a modulation with the periodicity of one flux quantum per dot area at low temperatures. The modulation leads to a novel, strikingly regular stripe pattern for a wide range in magnetic field and number of electrons.
We investigate the electronic transport through a molecule in the Kondo regime. The tunneling between the electrode and the molecule is asymmetrically modulated by the oscillations of the molecule, i.e., if the molecule gets closer to one of the electrodes the tunneling to that electrode will increase while for the other electrode it will decrease. The system is described by a two-channel Anderson model with phonon-assisted hybridization, which is solved with the Wilson numerical renormalization group method. The results for several functional forms of tunneling modulation are presented. For a…
Scanning tunneling miscoscopy is one of the most powerful spectroscopic tools for single-electron excitations. We show that the conductance fluctuations, or noise in the conductance, of a tunneling current into an interacting electron system is dominated by density-density and spin-spin correlations. This allows one to probe two-particle properties (susceptibilities) and collective excitations by standard experimental tunneling methods. We demonstrate this theoretically, using a novel many-body calculation for the multi-center Kondo problem, including both direct and indirect exchange between …
Magnetic adatoms on surfaces are exchange coupled to their environment, inducing fast relaxation of excited spin states and decoherence. These interactions can be suppressed by inserting decoupling layers between the magnetic adsorbate and the metallic substrate. Using low-temperature scanning tunneling microscopy and spectroscopy, we investigate the magnetic properties of single Fe atoms on Au(111) covered by a monolayer of MoS$_2$ and explore the influence of the moiré structure on the spin excitation spectra. Fe adatoms absorbed at minima of the moiré structure exhibit almost pure inelastic…
Localized magnetic moments have been predicted to develop in graphene samples with vacancies or adsorbates. The interplay between such magnetic impurities and graphene's Dirac quasiparticles leads to remarkable many-body phenomena, which have so far proved elusive to experimental efforts. In this article, we study the thermodynamic, spectral and transport signatures of quantum criticality and Kondo physics of a dilute ensemble of atomic impurities in graphene. We consider vacancies and adatoms that either break or preserve graphene's $C_{3v}$ and inversion symmetries. In a neutral graphene sam…
We theoretically compare transport properties of Fano-Kondo effect with those of Fano effect. We focus on shot noise characteristics of a triple quantum dot (QD) system in the Fano-Kondo region at zero temperature, and discuss the effect of strong electric correlation in QDs. We found that the modulation of the Fano dip is strongly affected by the on-site Coulomb interaction in QDs.
We investigate adiabatic pumping through a quantum dot with a single level in the mixed-valence and Kondo regimes using the slave-boson mean field approximation. The pumped current is driven by a gauge potential due to time-dependent tunneling barriers as well as by the modulation of the Friedel phase. The sign of the former contribution depends on the strength of the Coulomb interaction. Under finite magnetic fields, the separation of the spin and charge currents peculiar to the Kondo effect occurs.
Coupling between a magnetic impurity and an external bath can give rise to many-body quantum phenomena, including Kondo and Hund's impurity states in metals, and Yu-Shiba-Rusinov states in superconductors. While advances have been made in probing the magnetic properties of d-shell impurities on surfaces, the confinement of f orbitals makes them difficult to access directly. Here we show that a 4f driven Kondo resonance can be modulated spatially by asymmetric coupling between a metallic surface and a molecule containing a 4f-like moment. Strong hybridisation of dysprosium double-decker phthalo…
We investigate transport through a mononuclear transition-metal complex with strong tunnel coupling to two electrodes. The ground state of this molecule is a singlet while the first excited state is a triplet. We show that a modulation of the tunnel-barrier due to a molecular distortion which couples to the tunneling induces a Kondo-effect, provided the discrete vibrational energy compensates the singlet/triplet gap. We discuss the single-phonon and two-phonon assisted co-tunneling and possible experimental realization of the theory.
We study the Kondo effect and related transport properties in orbitally degenerate vertical quantum dot systems with plural electrons. Applying the non-crossing approximation to the three-orbital Anderson impurity model with the finite Coulomb interaction and Hund-coupling, we investigate the magnetic-field dependence of the conductance and thermopower. We also introduce an additional orbital splitting to take account of the realistic many-body effect in the vertical quantum dot system. It is clarified how the three-orbital Kondo effect influences the transport properties via the modulation of…
Variable Charge State, Magnetic Excitations, and Kondo Effect of Sm/g/Ir(111)
Institute of Physics, École Polytechnique Fédérale de Lausanne (EPFL)（洛桑联邦理工学院物理研究所）；Center for Spintronics and Quantum Systems, State Key Laboratory for Mechanical Behavior of Materials, School of Materials Science and Engineering, Xi’an Jiaotong University（西安交通大学材料科学与工程学院自旋电子学与量子系统中心（材料力学行为国家重点实验室））；Department of Chemistry, Graduate School of Science, Tohoku University（东北大学理学研究府化学系）；Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University（东北大学先进材料跨学科研究所）；Center for Spintronics Research Network, Tohoku University（东北大学自旋电子学研究网络中心）；Institute of Physics (FZU), Czech（捷克物理研究所）
Using a state-of-the art combination of density functional theory and impurity solver techniques we present a complete and parameter-free picture of the Kondo effect in the high-spin ($S=3/2$) coordination complex known as Manganese Phthalocyanine adsorbed on the Pb(111) surface. We calculate the correlated electronic structure and corresponding tunnel spectrum and find an asymmetric Kondo resonance, as recently observed in experiments. Contrary to previous claims, the Kondo resonance stems from only one of three possible Kondo channels with origin in the Mn 3d-orbitals, its peculiar asymmetri…
We address the problem of electronic and nuclear spin resonance of an individual atom on a surface driven by a scanning tunnelling microscope. Several mechanisms have been proposed so far, some of them based on the modulation of exchange and crystal field associated to a piezoelectric displacement of the adatom driven by the RF tip electric field. Here we consider a new mechanism, where the piezoelectric displacement modulates the g factor anisotropy, leading both to electronic and nuclear spin flip transitions. We discuss thoroughly the cases of Ti-H (S = 1/2) and Fe (S = 2) on MgO, relevant …
We present a theoretical study of low temperature nonequilibrium transport through an interacting quantum dot in the presence of Zeeman magnetic field and current injection into one of its leads. By using a self-consistent renormalized equation of motion approach, we show that the injection of a spin-polarized current leads to a modulation of the Zeeman splitting of the Kondo peak in the differential conductance. We find that an appropriate amount of spin accumulation in the lead can restore the Kondo peak by compensating the splitting due to magnetic field. By contrast when the injected curre…
The Kondo effect is investigated in a many-electron quantum ring as a function of magnetic field. For fields applied perpendicular to the plane of the ring a modulation of the Kondo effect with the Aharonov-Bohm period is observed. This effect is discussed in terms of the energy spectrum of the ring and the parametrically changing tunnel coupling. In addition, we use gate voltages to modify the ground-state spin of the ring. The observed splitting of the Kondo-related zero-bias anomaly in this configuration is tuned with an in-plane magnetic field.
We have performed low-temperature transport measurements on a double quantum dot-quantum wire coupled device and demonstrated non-local control of the Kondo effect in one dot by manipulating the electronic spin states of the other. We discuss the modulation of the local density of states in the wire region due to the Fano-Kondo antiresonance, and the Ruderman-Kittel-Kasuya-Yoshida (RKKY) exchange interaction as the mechanisms responsible for the observed features.
The transport properties of an ac-driving quantum dot in the Kondo regime are studied by the Floquet-Green's function method with slave-boson infinite-$U$ noncrossing approximation. Our results show that the Kondo peak of the local density of states is robust against weak ac gate modulation. Significant suppression of the Kondo peak can be observed when the ac gate field becomes strong. The photon-assisted noise of Kondo resonance as a function of dc voltage does not show singularities which are expected for noninteracting resonant quantum dot. These findings suggest that one may make use of t…
We quantitatively describe the main features of the magnetically induced conductance modulation of a Kondo quantum dot -- or chessboard pattern -- in terms of a constant-interaction double quantum dot model. We show that the analogy with a double dot holds down to remarkably low magnetic fields. The analysis is extended by full 3D spin density functional calculations. Introducing an effective Kondo coupling parameter, the chessboard pattern is self-consistently computed as a function of magnetic field and electron number, which enables us to quantitatively explain our experimental data.
In the scanning tunnelling microscope, the many-body Kondo effect leads to a zero-bias feature of the differential conductance spectra of magnetic adsorbates on surfaces. The intrinsic line shape of this Kondo resonance and its temperature dependence in principle contain valuable information. We use measurements on a molecular Kondo system, all-trans retinoic acid on Au(111), and model calculations to discuss the role of instrumental broadening. The modulation voltage used for the lock-in detection, noise on the sample voltage, and the temperature of the microscope tip are considered. These so…
We consider electronic transport through break-junctions bridged by a single molecule in the Kondo regime. We describe the system by a two-channel Anderson model. We take the tunneling matrix elements to depend on the position of the molecule. It is shown, that if the modulation of the tunneling by displacement is large, the potential confining the molecule to the central position between the leads is softened and the position of the molecule is increasingly susceptible to external perturbations that break the inversion symmetry. In this regime, the molecule is attracted to one of the leads an…
A low-energy theory for the helical metallic states, residing on the surface of cubic topological Kondo insulators, is derived. Despite our analysis being primarily focused on a prototype topological Kondo insulator, Samarium hexaboride (SmB$_6$), the surface theory derived here can also capture key properties of other heavy fermion topological compounds with a similar underlying crystal structure. Starting from an effective mean-field eight-band model in the bulk, we arrive at a low-energy description of the surface states, pursuing both analytical and numerical approaches. In particular, we …
Discovery of a hybridization-wave electronic order in a van der Waals Kondo lattice
University of Chinese Academy of Sciences（中国科学院大学）；Chinese Academy of Sciences（中国科学院）；University of Science and Technology of China（中国科学技术大学）；Nanjing University（南京大学）；Beijing Institute of Technology（北京理工大学）
A quantum point contact (QPC) is a very basic nano-electronic device: a short and narrow transport channel between two electron reservoirs. In clean channels electron transport is ballistic and the conductance $G$ is then quantised as a function of channel width with plateaus at integer multiples of $2e^2/h$ ($e$ is the electron charge and $h$ Planck's constant). This can be understood in a picture where the electron states are propagating waves, without need to account for electron-electron interactions. Quantised conductance could thus be the signature of ultimate control over nanoscale elec…
