The high-energy collective modes of particle-hole excitations across the spin-orbit gap in $\rm Sr_2IrO_4$ are investigated using the transformed Coulomb interaction terms in the pseudo-spin-orbital basis constituted by the $J=1/2$ and $3/2$ states arising from spin-orbit coupling. With appropriate interaction strengths and renormalized spin-orbit gap, these collective modes yield two well-defined propagating spin-orbit exciton modes, with energy scale and dispersion in excellent agreement with resonant inelastic X-ray scattering (RIXS) measurements.
We study the charge-density dynamics within the two-dimensional extended Hubbard model in the presence of long-range Coulomb interaction across the metal-insulator transition point. To take into account strong correlations we start from self-consistent extended dynamical mean-field theory and include non-local dynamical vertex corrections through a ladder approximation to the polarization operator. This is necessary to fulfill charge conservation and to describe plasmons in the correlated state. The calculated plasmon spectra are qualitatively different from those in the random-phase approxima…
We present a microscopic examination for the itinerant-localized duality model which has been proposed to understand anomalous properties of strongly correlated systems like the heavy fermions by Kuramoto and Miyake, and also useful to describe the anomalous properties of the high-Tc cupurates. We show that the thermodynamic potential of the strongly interacting Hubbard model can be rearranged in the form of duality model on the basis of renormalized perturbation expansion of the Luttinger-Ward functional if the one-particle spectral weight exhibits triple peak structure. We also examine the i…
Dividing the lattice into blocks with singlet ground state and knowing the exact low energy spectrum of the blocks and of dimers (or trimers) of blocks, it is possible to approach the lowest part of the lattice spectrum through an excitonic type effective model. The potentialities of the method are illustrated on the 1-D frustrated chain and the 1/5-depleted square and the plaquette 2-D lattices. The method correctly locates the phase transitions between gapped and non-gapped phases.
The strong-coupling perturbation theory (SCPT) for correlated electron systems is extended to the case of full Coulomb interaction. The Coulomb mechanism of the orbital polarization is discussed and attention is paid to the importance of spectral weight transfer between the localized and delocalized subsystems of electrons. A one-to-one correspondence between subsets of Feynman graphs of SCPT (which we name the approximation of renormalized Fermions (ARF)) and weak-coupling perturbation theory (WCPT) is established. The comparison of the Galitskii and Migdal expression for the total energy and…
We generalized systematically the renormalized mean field theory in the case of uniform states to the unrestricted case of general inhomogeneous states with competing spin-, charge- and superconducting orders. Applying the theory to high-$T_c$ superconductors, we discuss the issues of electronic inhomogeneity, the superfluid density, and in particular the local electron density of states. The results account for many intriguing aspects of the phenomenology.
We extend our previous approach (Eur. Phys. J. B, \textbf{74}, 63(2010)) to modeling correlated electronic states and the metal-insulator transition by applying the so-called \emph{statistically consistent Gutzwiller approximation} (SGA) to carry out self-consistent calculations of the renormalized single-particle Wannier functions in the correlated state. The transition to the Mott-Hubbard insulating state at temperature T=0 is of weak first order even if antiferromagnetism is disregarded. The magnitude of the introduced self-consistent magnetic correlation field is calculated and shown to le…
We present a model example of a quantum critical behavior of renormalized single-particle Wannier function composed of Slater s-orbitals and represented in an adjustable Gaussian STO-7G basis, which is calculated for cubic lattices in the Gutzwiller correlated state near the metal-insulator transition (MIT). The discussion is carried out within the extended Hubbard model and the method of approach proposed earlier [cf. Eur. Phys. J. B {\bf 66}, 385 (2008)]. The component atomic-wave-function size, the Wannier function maximum, as well as the system energy, all scale with the increasing lattice…
We extend the renormalized quasiparticle description of the symmetric Anderson model in a magnetic field $H$, developed in earlier work, to the non-symmetric model. The renormalized parameters are deduced from the low energy NRG fixed point for arbitrary field values. We find quasiparticle resonance widths, $\tildeΔ_σ(H)$, which depend in general on the spin $σ$ as well as $H$. The low temperature static properties can be expressed completely in terms of these parameters, which can also be used as inputs for a renormalized perturbation theory. We show that taking into account repeated quasipar…
The method used earlier for analysis of correlated nanoscopic systems is extended to infinite (periodic) s-band like systems described by the Hubbard model and its extensions. The optimized single-particle wave functions contained in the parameters of the Hubbard model (the hopping \textit{t} and the magnitude of the intraatomic interaction \textit{U}) are determined explicitly in the correlated state for the electronic systems of various symmetries and dimensions: Hubbard chain, square and triangular planar lattices, and the three cubic lattices (SC, BCC, FCC). In effect, the evolution of the…
A generalization of matrix product states (MPS) is introduced which is suitable for describing interacting quantum systems in two and three dimensions. These scale-renormalized matrix-product states (SR-MPS) are based on a course-graining of the lattice in which the blocks at each level are associated with matrix products that are further transformed (scale renormalized) with other matrices before they are assembled to form blocks at the next level. Using variational Monte Carlo simulations of the two-dimensional transverse-field Ising model as a test, it is shown that the SR-MPS converge much…
Recent inelastic neutron scattering experiments in CeIn3 and CePd2Si2 single crystals, measured spin wave excitations at low temperatures. These two heavy fermion compounds exhibit antiferromagnetic long-range order, but a strong competition between the Ruderman-Kittel-Kasuya-Yosida(RKKY) interaction and Kondo effect is evidenced by their nearly equal Neel and Kondo temperatures. Our aim is to show how magnons such as measured in the antiferromagnetic phase of these Ce compounds, can be described with a microscopic Heisenberg-Kondo model as introduced by J.R.Iglesias, C.Lacroix and B.Coqblin, …
The thermoelectric transport properties of nanostructured devices continue to attract attention from theorists and experimentalist alike as the spatial confinement allows for a controlled approach to transport properties of correlated matter. Most of the existing work, however, focuses on thermoelectric transport in the linear regime despite the fact that the nonlinear conductance of correlated quantum dots has been studied in some detail throughout the last decade. Here, we review our recent work on the effect of particle-hole asymmetry on the nonlinear transport properties in the vicinity of…
Using renormalized perturbation theory in the Coulomb repulsion, we derive an analytical expression for the leading term in the temperature dependence of the conductance through a quantum dot described by the impurity Anderson model, in terms of the renormalized parameters of the model. Taking these parameters from the literature, we compare the results with published ones calculated using the numerical renormalization group obtaining a very good agreement. The approach is superior to alternative perturbative treatments. We compare in particular to the results of a simple interpolative perturb…
The nonlinear conductance of semiconductor heterostructures and single molecule devices exhibiting Kondo physics has recently attracted attention. We address the observed sample dependence of the measured steady state transport coefficients by considering additional electronic contributions in the effective low-energy model underlying these experiments that are absent in particle-hole symmetric setups. A novel version of the superperturbation theory of Hafermann et al. in terms of dual fermions is developed, which correctly captures the low-temperature behavior. We compare our results with the…
We study the low temperature transport characteristics of a disordered metal in the presence of electron-electron interactions. We compare Hartree-Fock and dynamical mean field theory (DMFT) calculations to investigate the scattering processes of quasiparticles off the screened disorder potential and show that both the local and non-local (coming from long-ranged Friedel oscillations) contributions to the renormalized disorder potential are suppressed in strongly renormalized Fermi liquids. Our results provide one more example of the power of DMFT to include higher order terms left out by weak…
Using high-resolution angle-resolved photoemission spectroscopy on $Bi_{2}Sr_{2}CaCu_{2}O_{8+δ}$, we have made the first observation of a mass renormalization or "kink" in the E vs. $\vec k$ dispersion relation localized near $(π, 0)$. Compared to the kink observed along the nodal direction, this new effect is clearly stronger, appears at a lower energy near 40 meV, and is only present in the superconducting state. The kink energy scale defines a cutoff below which well-defined quasiparticle excitations occur. This effect is likely due to coupling to a bosonic excitation, with the most plausib…
Coherent magnetic excitations in a topological Kondo semimetal
Zhejiang University（浙江大学）；ISIS Facility, STFC Rutherford Appleton Laboratory（STFC卢瑟福阿普尔顿实验室ISIS设施）；University of Johannesburg（约翰内斯堡大学）；Tokyo Metropolitan University（东京都立大学）；Indian Institute of Science（印度科学学院）；J-PARC Center（日本质子加速器研究机构中心）；Hiroshima University（广岛大学）；Institute for Advanced Study in Physics, Zhejiang University（浙江大学物理学高等研究院）；Institute of Fundamental and Transdisciplinary Research, Zheji（浙江基础与交叉研究学院）
In earlier work we showed how the low energy behavior of the symmetric Anderson model in a magnetic field $H$ could be described in terms of field dependent renormalized quasiparticles. Here we extend the approach to the non-symmetric Anderson impurity model and to the infinite dimensional Hubbard model within the DMFT approach. We present NRG results for the local spectral densities and the local longitudinal and transverse dynamic spin susceptibilities for the different parameter regimes and a sequence of values of the magnetic field. We calculate the renormalized parameters for the quasipar…
We present a quantum critical behavior of the renormalized single-particle Wannier function, calculated in the Gutzwiller correlated state near the insulator-metal transition (IMT) for cubic lattices. The wave function size and its maximum, as well as the system energy scale with increasing lattice parameter $R$ as $R^{n}$. Such scaling is interpreted as the evidence of a dominant role of the Coulomb repulsion. Relation of the insulator-metal transition lattice-parameter value $R=R_{C}$ to the original {\em Mott criterion\} is obtained. The method is tested by comparing our results with the ex…
The determination of renormalized parameters in model Hamiltonians is discussed. A simple model of a 3d compound is studied, and it is shown how higher states can be projected out, resulting in a simpler model with renormalized parameters. This is applied to the calculation of effective Coulomb integrals for 3d and 4f compounds. Effects left out in this approach are discussed. We then focus on fullerides and compare theoretical and experimental data for the Coulomb interaction and the electron-phonon strength.
High-resolution neutron inelastic scattering experiments in applied magnetic fields have been performed on La$_{1.895}$Sr$_{0.105}$CuO$_{4}$ (LSCO). In zero field, the temperature dependence of the low-energy peak intensity at the incommensurate momentum-transfer $\mathbf{Q}^{\ }_{\mathrm{IC}}=(0.5,0.5\pmδ,0),(0.5\pmδ,0.5,0)$ exhibits an anomaly at the superconducting $T^{\}_{c}$ which broadens and shifts to lower temperature upon the application of a magnetic field along the c-axis. A field-induced enhancement of the spectral weight is observed, but only at finite energy transfers and in an i…
Using the tight-binding model with long-range Coulomb interactions between electrons, we study some of the electronic properties of graphene. The Coulomb interactions are treated with the renormalized-ring-diagram approximation. By self-consistently solving the integral equations for the Green function, we calculate the spectral density. The obtained result is in agreement with experimental observation. In addition, we also compute the density of states, the distribution functions, and the ground-state energy. Within the present approximation, we find that the imaginary part of the self-energy…
The three band p-d model of strongly correlated electrons interacting with optical phonon via diagonal and off-diagonal electron-phonon interaction is considered within cluster perturbation theory. At first step the exact diagonalization of the Hamiltonian of CuO4 cluster results in the construction of local polaronic eigenstates |p> with hole numbers nh=0,1,2 per unit cell. The inter cluster hoppings and interactions are exactly written in terms of Hubbard operators X(pq)= |p><q| determined within the multielectron polaronic eigenstates |p>. The Fermi type single electron quasiparticle disper…
The question about the existence of Bogoliubov's quasiparticles in the BCS wave functions underneath Gutzwiller's projection is of importance to strongly correlated systems. We develop a method to examine the two-particle excitations of Gutzwiller-projected BCS wave functions by using the variational Monte Carlo approach. We find that the exact Gutzwiller-projected quasiparticle (GQP) dispersions are quantitatively reproduced by the Gutzwiller-projected Bogoliubov quasiparticles (GBQP) except the regions where d-wave Cooper pairing is strong. Since GQP still shows higher energy than GBQP near …
We analyze the properties of the quasiparticle excitations of metallic antiferromagnetic states in a strongly correlated electron system. The study is based on dynamical mean field theory (DMFT) for the infinite dimensional Hubbard model with antiferromagnetic symmetry breaking. Self-consistent solutions of the DMFT equations are calculated using the numerical renormalization group (NRG). The low energy behavior in these results is then analyzed in terms of renormalized quasiparticles. The parameters for these quasiparticles are calculated directly from the NRG derived self-energy, and also fr…
Correlated density matrix theory is generalized to investigate equilibrium properties of normal Fermi Liquids such as 3He and nuclear matter at nonzero temperatures. The results also generalize the Fermi-hypernetted-chain technique that is familiar from studies of the ground state of correlated fermions. By employing the concept of renormalized bosons and fermions the formal results are cast in a form that permits the direct evaluation of the statistical properties of the correlated liquid such as the entropy and the specific heat at constant volume among other quantities.
Theory of Unconventional Superconductivity in Strongly Correlated Systems: Real Space Pairing and Statistically Consistent Mean-Field Theory - in Perspective
Low-lying one-particle anomalous excitations are studied for Gutzwiller projected strongly correlated BCS states. It is found that the one-particle anomalous excitations are highly coherent, and the numerically calculated spectrum can be reproduced quantitatively by a renormalized BCS theory, thus strongly indicating that the nature of low-lying excitations described by the projected BCS states is essentially understood within a renormalized Bogoliubov quasi-particle picture. This finding resembles a well known fact that a Gutzwiller projected Fermi gas is a Fermi liquid. The present results a…
The magnetic excitation spectrum of the t-t'-J-model is studied in mean-field theory and compared to inelastic neutron-scattering (INS) experiments on YBCO and BSCCO superconductors. Within the slave-particle formulation the dynamical spin response is calculated from a renormalized Fermi liquid with an effective interaction ~J in the magnetic particle--hole channel. We obtain the so-called 41meV resonance at wave vector (pi,pi) as a collective spin-1 excitation in the d-wave superconducting state. It appears sharp (undamped), if the underlying Fermi surface is hole-like with a sufficient next-…
We theoretically examine the momentum dependence of resonant inelastic x-ray scattering (RIXS) spectrum for one-dimensional and two-dimensional cuprates based on the single-band Hubbard model with realistic parameter values. The spectrum is calculated by using the numerical diagonalization technique for finite-size clusters. We focus on excitations across the Mott gap and clarify spectral features coming from the excitations as well as the physics behind them. Good agreement between the theoretical and existing experimental results clearly demonstrates that the RIXS is a potential tool to stud…
Ultrafast spectroscopies constitute a fundamental tool to investigate the dynamics of non-equilibrium many-body states in correlated materials. Two-pulses (pump-probe) experiments have shed new light on the interplay between high-energy electronic excitations and the emerging low-energy properties, such as superconductivity and charge-order, in many interesting materials. Here we will review some recent results on copper oxides and we will propose the use of high-resolution multi-dimensional techniques to investigate the decoherence processes of optical excitations in these systems. This novel…
By exploiting the particle-hole symmetries of the Hubbard model, the periodic Anderson model and the Kondo lattice model at half-filling and applying a generalized version of Lieb's spin-reflection positivity method, we show that the charged gaps of these models are always larger than their spin excitation gaps. This theorem confirms the previous results derived by either the variational approach or the density renormalization group approach.
We analyze the interaction-induced renormalization of single-particle excitations in the two-dimensional Hubbard model at weak coupling using the Wick-ordered version of the functional renormalization group. The self energy is computed for real frequencies by integrating a flow equation with renormalized two-particle interactions. In the vicinity of hot spots, that is points where the Fermi surface intersects the umklapp surface, self energy effects beyond the usual quasi-particle renormalizations and damping occur near instabilities of the normal, metallic phase. Strongly enhanced renormalize…
We apply Coupled Cluster Method to a strongly correlated lattice and develop the Spectral Coupled Cluster equations by finding an approximation to the resolvent operator, that gives the spectral response for an certain class of probe operators. We apply the method to a $MnO_2$ plane model with a parameters choice which corresponds to previous experimental works and which gives a non-nominal symmetry ground state. We show that this state can be observed using our Spectral Coupled Cluster Method by probing the Coupled Cluster solution obtained from the nominal reference state. In this case one o…
The effects associated with interatomic hoppings of excitons and the excitonic Bose condensate formation in the strongly correlated spin crossover systems are considered in the framework of the effective Hamiltonian for the two-band Kanamori model. The appearance of antiferromagnetic ordering due to the exciton order is found even in the absence of interatomic exchange interaction. The spectrum of excitonic excitations is calculated at various points of the "temperature vs. crystal field" phase diagram. Outside the region of exciton ordering, the spectrum has a gap, which vanishes at the bound…
We study spin relaxation and dynamics of collective spin excitations in correlated double--exchange ferromagnets. For this, we introduce an expansion of the Green's functions equations of motion that treats non--perturbativerly all correlations between a given number of spin and charge excitations and becomes exact within a sub--space of states. Our method treats relaxation beyond Fermi's Golden Rule while recovering previous variational results for the spin--wave dispersion. We find that the momentum dependence of the spin--wave dephasing rate changes qualitatively due to the on--site Coulomb…
In this work we investigate charge transport in one-dimensional (1D) insulators via semi-classical and perturbative renormalization group (RG) methods. We consider the problem of electron-electron, electron-phonon and electron-two-level system interactions. We show that non-linear collective modes such as polarons and solitons are reponsible for transport. We find a new excitation in the Mott insulator: the polaronic soliton. We discuss the differences between band and Mott insulators in terms of their spin spectrum and obtain the charge and spin gaps in each one of these systems. We show that…
With wavefunction-based electronic-structure calculations we determine the Cu d-d excitation energies in quasi-one-dimensional spin-chain and ladder copper oxides. A complete set of local excitations has been calculated for cuprates with corner-sharing (Sr2CuO3 and SrCuO2) and edge-sharing (LiVCuO4, CuGeO3, LiCu2O2 and Li2CuO2) CuO4 plaquettes, with corner-sharing CuF6 octahedra (KCuF3), for the ladder system CaCu2O3, and for multiferroic cupric oxide CuO. Our data compare well with available results of optical absorption measurements on KCuF3 and the excitation energies found by resonant inel…
The hierarchy of the coupling strengths in a physical system often engenders an effective model at low energies where the decoupled high-energy modes are integrated out. Here, using neutron scattering, we show that the spin excitations in the breathing pyrochlore lattice compound CuInCr$_4$S$_8$ are hierarchical and can be approximated by an effective model of correlated tetrahedra at low energies. At higher energies, intra-tetrahedron excitations together with strong magnon-phonon couplings are observed, which suggests the possible role of the lattice degree of freedom in stabilizing the spin…
Collective Spin Excitations in Correlated Moiré Chern Ferromagnets
Condensed Matter Theory Center, Department of Physics, University of Maryland（马里兰大学凝聚态理论中心）；Department of Physics, The University of Texas at Dallas（德克萨斯大学达拉斯分校物理系）
Magnon self energy due to spin-charge coupling is calculated for the correlated ferromagnetic Kondo lattice model using a diagrammatic expansion scheme. Systematically incorporating correlation effects in the form of self-energy and vertex corrections, the expansion scheme explicitly preserves the continuous spin rotation symmetry and hence the Goldstone mode. Due to a near cancellation of the correlation-induced quantum correction terms at intermediate coupling and optimal band filling relevant for ferromagnetic manganites, the renormalized magnon energies for the correlated FKLM are nearly i…
We study numerically and analytically the dynamical (AC) conductance through a two-dot system, where only one of the dots is coupled to the leads but it is also side-coupled to the other dot through an antiferromagnetic exchange (RKKY) interaction. In this case the RKKY interaction gives rise to a ``two-stage Kondo effect'' where the two spins are screened by two consecutive Kondo effects. We formulate a renormalized scaling theory that captures remarkably well the cross-over from the strongly conductive correlated regime to the low temperature low conductance state. Our analytical formulas ag…
We propose an efficient dual boson scheme, which extends the DMFT paradigm to collective excitations in correlated systems. The theory is fully self-consistent both on the one- and on the two-particle level, thus describing the formation of collective modes as well as the renormalization of electronic and bosonic spectra on equal footing. The method employs an effective impurity model comprising both fermionic and bosonic hybridization functions. Only single- and two-electron Green's functions of the reference problem enter the theory, due to the optimal choice of the self-consistency conditio…
We use Ru $L_3$-edge resonant inelastic x-ray scattering (RIXS) to study the full range of excitations in Ca$_3$Ru$_2$O$_7$ from meV-scale magnetic dynamics through to the eV-scale interband transitions. This bilayer $4d$-electron correlated metal expresses a rich phase diagram, displaying long range magnetic order below 56 K followed by a concomitant structural, magnetic and electronic transition at 48 K. In the low temperature phase we observe a magnetic excitation with a bandwidth of $\sim$30 meV and a gap of $\sim$8 meV at the zone center, in excellent agreement with inelastic neutron scat…
The interaction of light with solids gives rise to new bosonic quasiparticles, with the exciton being---undoubtedly---the most famous of these polaritons. While excitons are the generic polaritons of semiconductors, we show that for strongly correlated systems another polariton is prevalent---originating from the dominant antiferromagnetic or charge density wave fluctuations in these systems. As these are usually associated with a wave vector ${\mathbf k}= (π,π,\ldots)$ or close to it, we propose to call the derived polaritons $π$-tons. These $π$-tons yield the leading vertex correction to the…
By direct measurements of the complex optical conductivity $σ(ν)$ of FeSi we have discovered a broad absorption peak centered at frequency $ν_{0}(4.2 K) \approx 32 cm^{-1}$ that develops at temperatures below 20 K. This feature is caused by spin-polaronic states formed in the middle of the gap in the electronic density of states. We observe the spin excitations between the electronic levels split by the exchange field of $H_{e}=34\pm 6 T$. Spin fluctuations are identified as the main factor determining the formation of the spin polarons and the rich magnetic phase diagram of FeSi.
To determine the strength of essential electronic and magnetic interactions in the iridates Sr$_2$IrO$_4$ and Ba$_2$IrO$_4$ - potential platforms for high-temperature superconductivity - we use many-body techniques from wavefunction-based electronic-structure theory. Multiplet physics, spin-orbit interactions, and Ir-O hybridization are all treated on equal footing, fully {\it ab initio}. Our calculations put the lowest d-d excitations of Sr$_2$IrO$_4$/Ba$_2$IrO$_4$ at 0.69/0.64 eV, substantially lower than in isostructural cuprates. Charge-transfer excitations start at 3.0/1.9 eV and the magn…
Topologically nontrivial states are common in symmetry broken phases at macroscopic scales. Low dimensional systems bring them to a microscopic level where solitons emerge as single particles. The earliest and latest applications are conducting polymers and spin-Peierls chains. After a history introduction, we shall discuss the topological aspects of elementary excitations, especially the confinement and the dimensional D crossover. At the 1D level we exploit results of different exact and approximate techniques in theory of solitons, for both quantum and semiclassical models, and the related …
The temperature dependence of the gapped triplet excitations (triplons) in the 2D Shastry-Sutherland quantum magnet SrCu$_2$(BO$_3$)$_2$ is studied by means of inelastic neutron scattering. The excitation amplitude rapidly decreases as a function of temperature while the integrated spectral weight can be explained by an isolated dimer model up to 10~K. Analyzing this anomalous spectral line-shape in terms of damped harmonic oscillators shows that the observed damping is due to a two-component process: one component remains sharp and resolution limited while the second broadens. We explain the …
Single-band Hubbard model at criticality of the metal-insulator transition is studied using approximations derived from parquet theory. It is argued that only the electron-hole and interaction two-particle channels in the parquet algebra are relevant. A scheme is proposed how to reduce the parquet equations to a manageable form the complexity of which is comparable with single-channel approximations such as the renormalized RPA. The newly derived approximation, however, contains dynamical vertex corrections, remains self-consistent at the two-particle level and allows only for integrable singu…
An application of resonant inelastic x-ray scattering technique for studying of optical scale excitations in electron-correlated materials is discussed. Examples are given including data obtained for 3d transition metal, lanthanide, and actinide systems. In some cases, the data are compared with the results of crystal-field multiplet and Anderson impurity model calculations. Advantages of this technigue are pointed out, such as an ability to probe an extended multiplet structure of the ground state configuration, which is not fully accessible by other spectroscopies, an extreme sensitivity of …
We show that a strongly renormalized band of polaronic quasiparticle excitations is induced at the Fermi level of an interacting many-electron system on increasing the coupling of the electrons to local phonons. We give results for the local density of states at zero temperature both for the electrons and phonons. The polaronic quasiparticles satisfy Luttinger's theorem for all regimes considered, and their dispersion shows a kink similar to that observed experimentally in copper oxides. We calculate the quasiparticle weight factor $z$ and deduce the local effective inter-quasiparticle interac…
We identify a structure in the spectra of 1d lattice models of interacting electrons, characterised by an anomalous gapped branch of elementary excitations. Focusing on a family of Bethe ansatz solvable models, where all excitations are stable against decay, we make a four-way classification of the energy spectrum along with a model belonging to each class. We find in particular that the anomalous excitation branch may switch between the spin and charge symmetry sectors without a change in the ground state. Instead it changes its nature by becoming inaccessible to the ground state.
We develop a general theory of a boson decomposition for both local and non-local interactions in lattice fermion models which allows us to describe fermionic degrees of freedom and collective charge and spin excitations on equal footing. An efficient perturbation theory in the interaction of the fermionic and the bosonic degrees of freedom is constructed in so-called dual variables in the path-integral formalism. This theory takes into account all local correlations of fermions and collective bosonic modes and interpolates between itinerant and localized regimes of electrons in solids. The ze…
In this work we consider a numerically solvable model of a two-electron diatomic molecule to study a recently proposed approximation based on the density-functional theory of so-called strictly correlated electrons (SCE). We map out the full two-particle wave function for a wide range of bond distances and interaction strengths and obtain analytic results for the two-particle states and eigenenergies in various limits of strong and weak interactions, and in the limit of large bond distance. We then study the so-called Hartree-exchange-correlation (Hxc) kernel of time-dependent density function…
Despite significant progress in resonant inelastic x-ray scattering (RIXS) experiments on cuprates at the Cu L-edge, a theoretical understanding of the cross-section remains incomplete in terms of elementary excitations and the connection to both charge and spin structure factors. Here we use state-of-the-art, unbiased numerical calculations to study the low energy excitations probed by RIXS in undoped and doped Hubbard model relevant to the cuprates. The results highlight the importance of scattering geometry, in particular both the incident and scattered x-ray photon polarization, and demons…
Solar cells based on conventional semiconductors have low efficiency in converting solar energy into electricity because the excess energy beyond the gap of an incident solar photon is converted into heat by phonons. Here we show by ab initio methods that the presence of strong Coulomb interactions in strongly correlated insulators (SCI) causes the highly photo-excited electron-hole pair to decay fast into multiple electron-hole pairs via impact ionization (II). We show that the II rate in the insulating $M_1$ phase of vanadium dioxide (chosen for this study as it is considered a prototypical …
Magnetic excitations in the spin-$\frac{1}{2}$ distorted kagome lattice antiferromagnet Cs$_2$Cu$_3$SnF$_{12}$, which has an ordered ground state owing to the strong Dzyaloshinskii-Moriya interaction, were studied using inelastic neutron scattering. Although the spin-wave dispersion can be qualitatively understood in terms of linear spin-wave theory (LSWT), the excitation energies are renormalized by a factor of approximately 0.6 from those calculated by LSWT, almost irrespective of the momentum transfer. This inadequacy of LSWT, which is attributed to quantum fluctuations, provides evidence o…
The optical conductivity contains relevant information on the properties of correlated electron systems. In infinite dimensions, where dynamical mean field theory becomes exact, vertex corrections can be neglected and the conductivity computed from particle-hole bubbles. An interesting question concerns the nature and effect of the most relevant vertex corrections in finite-dimensional systems. A recent numerical study showed that the dominant vertex correction near an ordering instability with wave vector π comes from a vertical ladder, analogous to the Maki-Thompson diagram. Since the RPA ve…
