We study the role of electron correlations among Co 3d electrons contributing to the conduction band of a Kondo lattice compound, Ce2CoSi3, using high resolution photoemission spectroscopy and ab initio band structure calculations. Experimental results reveal signature of Ce 4$f$ states derived Kondo resonance feature at the Fermi level and dominance of Co 3d contributions at higher binding energies in the valence band. The line shape of the experimental Co 3$d$ band is found to be significantly different from that obtained from the band structure calculations within the local density approximations. Consideration of electron-electron Coulomb repulsion among Co 3d electrons leads to a better representation of experimental results. The correlation strength among Co 3$d$ electrons is found to be about 3 eV. Signature of electron correlation induced satellite feature is also observed in the Co 2p core level spectrum. Thus, these results demonstrate the importance of the electron correlation among conduction electrons to derive the microscopic description of such Kondo systems.
The results of electrical resistivity, heat capacity and magnetic susceptibility behavior of new class of alloys, Ce_{2-x}La_{x}CoSi_{3}, are reported. The x= 0.0 alloy is mixed valent and La substitution for Ce (x= 0.25) induces linear temperature dependence of resistivity at low temperatures, an observation of relevance to the topic of non-Fermi liquid behavior. The modifications of Kondo effect for all the alloys are also presented.
We study the electronic structure of a Pauli paramagnetic compound, La(2)CoSi(3) using photoemission spectroscopy and ab initio band structure calculations. Experimental valence band spectra exhibit signature of electron correlation induced feature around 2.5 eV - the correlation strength among Co 3d electrons is estimated to be close to 3 eV. The Co 2p core level spectra also exhibit correlation induced satellite features consistent with the scenario in the valence band spectra suggesting importance of conduction electron correlation in addition to the local moment in Kondo lattice systems. T…
Kondo systems are usually described by the interaction of strong correlation induced local moment with the highly itinerant conduction electrons. Here, we study the role of electron correlations among conduction electrons in the electronic structure of a Kondo lattice compound, Ce$_2$CoSi$_3$, using high resolution photoemission spectroscopy and {\it ab initio} band structure calculations, where Co 3$d$ electrons contribute in the conduction band. High energy resolution employed in the measurements helped to reveal signature of Ce 4$f$ states derived Kondo resonance feature at the Fermi level …
Transition metal impurities will yield zero bias anomalies in the conductance of well contacted metallic carbon nanotubes, but Kondo temperatures and geometry dependences have not been anticipated so far. Applying the density functional plus numerical renormalization group approach of Lucignano \textit{et al.} to Co and Fe impurities in (4,4) and (8,8) nanotubes, we discover a huge difference of behaviour between outside versus inside adsorption of the impurity. The predicted Kondo temperatures and zero bias anomalies, tiny outside the nanotube, turn large and strongly radius dependent inside,…
In the first step, experiments on a single cerium or ytterbium Kondo impurity reveal the importance of the Kondo temperature by comparison to other type of couplings like the hyperfine interaction, the crystal field and the intersite coupling. The extension to a lattice is discussed. Emphasis is given on the fact that the occupation number $n_f$ of the trivalent configuration may be the implicit key variable even for the Kondo lattice. Three $(P, H, T)$ phase diagrams are discussed: CeRu$_2$Si$_2$, CeRhIn$_5$ and SmS.
Kondo coupling of f and conduction electrons is a common feature of f-electron intermetallics. Similar effects should occur in carbon ring systems(metallocenes). Evidence for Kondo coupling in Ce(C8H8)2 (cerocene) and the ytterbocene Cp*2Yb(bipy) is reported from magnetic susceptibility and L_III-edge x-ray absorption spectroscopy. These well-defined systems provide a new way to study the Kondo effect on the nanoscale, should generate insight into the Anderson Lattice problem, and indicate the importance of this often-ignored contribution to bonding in organometallics.
Using a non-Abelian density matrix renormalization group method we determine the phase diagram of the Kondo lattice model in one dimension, by directly measuring the magnetization of the ground-state. This allowed us to discover a second ferromagnetic phase missed in previous approaches. The phase transitions are found to be continuous. The spin-spin correlation function is studied in detail, and we determine in which regions the large and small Fermi surfaces dominate. The importance of double-exchange ordering and its competition with Kondo singlet formation is emphasized in understanding th…
We show through a perturbative and an exact calculation using Wilson's renormalization methods that in the problem of two interacting Kondo impurities, on-site potential scattering generates a quantum-tunneling between the two impurities through a marginally relevant operator. The magnitude of this tunneling $V_{12}$ depends on the spin-correlation between the two impurities. For exchange interactions between the moments comparable to the Kondo energy $T_K$, $V_{12}$ is typically much larger than $T_K$. This implies that the heavy-fermion mass in this interesting range is determined by $V_{12}…
Motivated by the recent discovery of ferromagnetic quantum criticality in the heavy fermion compound CeRh$_6$Ge$_4$, we develop a numerical algorithm of infinite projected entangled pair states for the anisotropic ferromagnetic Kondo-Heisenberg model in two dimensions and study the ferromagnetic quantum phase transitions with varying magnetic and hopping anisotropy. Our calculations reveal a continuous ferromagnetic quantum phase transition in the large anisotropic region and first-order quantum phase transitions for smaller anisotropy. Our results highlight the importance of magnetic anisotro…
We demonstrate the importance of the Kondo effect in artificially created {\it f}-electron superlattices. We show that the Kondo effect does not only change the density of states of the {\it f}-electron layers, but is also the cause of pronounced resonances at the Fermi energy in the density of states of the non-interacting layers in the superlattice, which are between the {\it f}-electron layers. Remarkably, these resonances strongly depend on the structure of the superlattice; due to interference, the density of states at the Fermi energy can be strongly enhanced or even shows no changes at …
We use a combination of first principles many-body methods and the numerical renormalization-group technique to study the Kondo regime of cobalt-porphyrin compounds adsorbed on a Cu(111) surface. We find the Kondo temperature to be highly sensitive to both molecule charging and distance to the surface, which can explain the variations observed in recent scanning tunneling spectroscopy measurements. We discuss the importance of many-body effects in the molecular electronic structure controlling this phenomenon and suggest scenarios where enhanced temperatures can be achieved in experiments.
The eigenstates of an isolated nanostructure may get mixed by the coupling to external leads. This effect is the stronger, the smaller the level splitting on the dot and the larger the broadening induced by the coupling to the leads. We describe how to calculate the nondiagonal density matrix of the nanostructure efficiently in the cotunneling regime. As an example, we consider a system of two quantum dots in the Kondo regime, the two spins coupled by an antiferromagnetic exchange interaction and each dot tunnel coupled to two leads. Calculating the nonequilibrium density matrix and the corres…
We have investigated heavy-fermion behavior of the transition-metal oxides ACu3Ru4O12 (A = Na, Ca, La, and their mixtures). It has been known that CaCu3Ru4O12 exhibits Kondo-like behavior attributable to Cu2+ 3d electrons, similar to that of some Ce-based heavy-fermion systems. However, we find striking "suppression" of the mass enhancement in CaCu3Ru4O12, in which the Kondo-like effect is most pronounced. Such decrease of the density of states is reminiscent of the coherent gap formation in Kondo lattice systems. Nevertheless, the behavior can not be interpreted within the conventional Kondo …
To study the nature of partially substituted Yb-ions in a Ce-based Kondo lattice, we fabricated high quality Ce_{1-x}Yb_xCoIn_5 epitaxial thin films using molecular beam epitaxy. We find that the Yb-substitution leads to a linear decrease of the unit cell volume, indicating that Yb-ions are divalent forming Kondo-holes in Ce_{1-x}Yb_xCoIn_5, and leads to a strong suppression of the superconductivity and Kondo coherence. These results, combined with the measurements of Hall effect, indicate that Yb-ions act as nonmagnetic impurity scatters in the coherent Kondo lattice without serious suppressi…
The competition between the indirect exchange interaction (IEC) of magnetic impurities in metals and the Kondo effect gives rise to a rich quantum phase diagram, the Doniach Diagram. In disordered metals, both the Kondo temperature and the IEC are widely distributed due to the scattering of the conduction electrons from the impurity potential. Therefore, it is a question of fundamental importance, how this Doniach diagram is modified by the disorder, and if one can still identify separate phases. Recently, it has been investigated the effect of Ruderman-Kittel-Kasuya-Yosida (RKKY) correlations…
The discovery of topologically non-trivial states in band insulators has induced an extensive search for topological phase in strongly correlated electron systems. In particular, samarium hexaboride (SmB$_6$) has drawn much attention as it might represent a new class of condensed matter called topological Kondo insulator. Kondo insulators (KI) can have non-trivial Z$_2$ topology because the energy gap opens at the Fermi energy ($E_F$) by hybridization between an odd- parity renormalized $f$ band and an even- parity conduction $d$ band. However, the characteristics of SmB$_6$ deviate from the c…
We investigate the electronic structure of a Kondo lattice system, CeCuSb2 exhibiting significant mass enhancement and Kondo-type behavior. We observe multiple features in the hard x-ray photoemission spectra of Ce core levels due to strong final-state effects. The depth-resolved data exhibit a significant change in relative intensity of the features with the surface sensitivity of the probe. The extracted surface and bulk spectral functions are different and exhibit a Kondo-like feature at higher binding energies in addition to the well and poorly screened features. The core-level spectra of …
Auxiliary-Bath Numerical Renormalization Group Method and Successive Collective Screening in Multi-Impurity Kondo Systems
Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所）；Department of Physics and Chongqing Key Laboratory for Strongly Coupled Physics, Chongqing University（重庆大学）；School of Physics, Hangzhou Normal University（杭州师范大学）；School of Physical Sciences, University of Chinese Academy of Sciences（中国科学院大学）；Songshan Lake Materials Laboratory（松山湖材料实验室）
The heavy fermion material CeB6 shows hidden magnetic ordered phases. Besides well-known Ferromagnetic(FM) and Antiferromagnetic(AFM) phases, CeB6 is speculated to form a unique antiferroquadrupolar (AFQ) phase that is orbital in nature. Hidden from many characterization methods that cannot assess orbital ordering, debate continue on the origins. From electronic-structure calculations, we find that these three phases are energetically almost degenerate, suggesting that magnetic domain walls form, possibly with defect boundaries. Only calculations with spin-orbit coupling reproduce most band st…
With current research efforts shifting towards the 4$d$ and 5$d$ transition metal oxides, understanding the evolution of the electronic and magnetic structure as one moves away from 3$d$ materials is of critical importance. Here we perform X-ray spectroscopy and electronic structure calculations on $A$-site ordered perovskites with Cu in the $A$-site and the $B$-sites descending along the 9th group of the periodic table to elucidate the emerging properties as $d$-orbitals change from partially filled 3$d$, 4$d$, to 5$d$. The results show that when descending from Co to Ir the charge transfers …
Due to the interaction between topological defects of an order parameter and underlying fermions, the defects can possess induced fermion numbers, leading to several exotic phenomena of fundamental importance to both condensed matter and high energy physics. One of the intriguing outcome of induced fermion number is the presence of fluctuating competing orders inside the core of topological defect. In this regard, the interaction between fermions and skyrmion excitations of antiferromagnetic phase can have important consequence for understanding the global phase diagrams of many condensed matt…
We describe the evolution of the SU(4) Kondo effect as the number of magnetic centers increases from one impurity to the two-dimensional (2D) lattice. We derive a Hubbard-Anderson model which describes a 2D array of atoms or molecules with two-fold orbital degeneracy, acting as magnetic impurities and interacting with a metallic host. We calculate the differential conductance, observed typically in experiments of scanning tunneling spectroscopy, for different arrangements of impurities on a metallic surface: a single impurity, a periodic square lattice, and several sites of a rectangular clust…
The interplay of disorder and competing interactions is investigated in the carrier-induced ferromagnetic state of the Kondo lattice model within a numerical finite-size study in which disorder is treated exactly. Competition between impurity spin couplings, stability of the ferromagnetic state, and magnetic transition temperature are quantitatively investigated in terms of magnon properties for different models including dilution, disorder, and weakly-coupled spins. A strong optimization is obtained for T_c at hole doping p << x, highlighting the importance of compensation in diluted magnetic…
We report the optical conductivity in high-quality crystals of the chiral topological semimetal CoSi, which hosts exotic quasiparticles known as multifold fermions. We find that the optical response is separated into several distinct regions as a function of frequency, each dominated by different types of quasiparticles. The low-frequency intraband response is captured by a narrow Drude peak from a high-mobility electron pocket of double Weyl quasi-particles, and the temperature dependence of the spectral weight is consistent with its Fermi velocity. By subtracting the low-frequency sharp Drud…
The heavy quasiparticle bands in Kondo materials which originate in the hybridization of f- and conduction electrons exhibit numerous, sometimes coexisting, broken symmetry phases. Most notable are unconventional superconductivity, itinerant small moment antiferromagnetism and hidden order of higher order multipoles of f-electrons which all lead to a gapping of the heavy bands. In rare cases the chemical potential lies within the hybridization gap and the ground state is a Kondo semiconductor without ordering. The dynamical magnetic response of such gapped f-electron systems has been investiga…
Realizing new classes of ground states in strongly correlated electron systems continues to be at the forefront of condensed matter physics. Heavy-fermion materials, whose electronic structure is essentially three-dimensional, are one of the most suitable systems for obtaining novel electronic states because they demonstrate many fascinating properties. Recently, a state-of-the-art MBE technique has been developed to reduce the dimensionality of the heavy electrons by fabricating heavy fermion superlattices, which can produce new electronic states present in two-dimensional (2D) heavy fermion …
Topological insulators are materials characterized by dissipationless, spin-polarized surface states resulting from non-trivial band topologies. Recent theoretical models and experiments suggest that SmB6 is the first topological Kondo insulator, in which the topologically non-trivial band structure results from electron-electron interactions via Kondo hybridization. Here, we report that the surface conductivity of SmB6 increases systematically with bulk carbon content. Further, addition of carbon is linked to an increase in n-type carriers, larger low temperature electronic contributions to t…
We present a general model which includes the ferromagnetic Kondo lattice and the Hubbard model as special cases. The stability of the ferromagnetic state is investigated variationally. We discuss the mechanism of ferromagnetism in metallic nickel, emphasizing the importance of orbital degeneracy and the effect of the Hund's-rule coupling.
Complexity in the hybridization physics revealed by depth-resolved photoemission spectroscopy of single crystalline novel Kondo lattice systems, CeCuX$_2$ (X = As/Sb)
We briefly overview the importance of Hubbard and Anderson-lattice models as applied to explanation of high-temperature and heavy-fermion superconductivity. Application of the models during the last two decades provided an explanation of the paired states in correlated fermion systems and thus extended essentially their earlier usage to the description of itinerant magnetism, fluctuating valence, and the metal-insulator transition. In second part, we also present some of the new results concerning the unconventional superconductivity and obtained very recently in our group. A comparison with e…
We study the Anderson lattice model with one f-orbital per lattice site as the simplest model which describes generic features of heavy fermion materials. The resistivity and magnetic susceptibility results obtained within dynamical mean field theory (DMFT) for a nearly half-filled conduction band show the existence of a single energy scale $T^*$ which is similar to the single ion Kondo temperature $T_K^o$. To determine the importance of inter-site correlations, we have also solved the model within cellular DMFT (CDMFT) with two sites in a unit cell. The antiferromagnetic region on the phase d…
We generalized the recently introduced new impurity solver based on the diagrammatic expansion around the atomic limit and Quantum Monte Carlo summation of the diagrams. We present generalization to the cluster of impurities, which is at the heart of the cluster Dynamical Mean-Field methods, and to realistic multiplet structure of a correlated atom, which will allow a high precision study of actinide and lanthanide based compounds with the combination of the Dynamical Mean-Field theory and band structure methods. The approach is applied to both, the two dimensional Hubbard and t-J model within…
