Recently strong evidence has been found in favor of a BCS-like condensation of excitons in 1\textit{T}-TiSe$_2$. Theoretical photoemission intensity maps have been generated by the spectral function calculated within the excitonic condensate phase model and set against experimental angle-resolved photoemission spectroscopy data. Here, the calculations in the framework of this model are presented in detail. They represent an extension of the original excitonic insulator phase model of Jérome \textit{et al.} [Phys. Rev. {\bf 158}, 462 (1967)] to three dimensional and anisotropic band dispersions. A detailed analysis of its properties and further comparison with experiment are also discussed
Pair fluctuation theory has been used to study the crossover from the weak coupling BCS theory to the strong coupling Bose Einstein Condensation. The effect of fluctuations has been studied over the whole crossover regime. It has been shown that the pair fluctuations are enhanced considerably in both two and three dimensions and hence mean field theory is inadequate to study the physical properties in this regime. A self consistent scheme for calculating the pair susceptibility is given.
Exciton condensation in a two-band Hubbard model on a square lattice is studied with variational Monte Carlo method. We show that the phase transition from an excitonic insulator to a band insulator is induced by increasing the interband Coulomb interaction. To examine the character of the exciton condensation, the exciton pair amplitudes both in $\bm{k}$-space and in real space are calculated. Using these quantities, we discuss the BCS-BEC crossover within the excitonic insulator phase.
The BCS to Bose-Einstein condensation (BEC) crossover of electron-hole (e-h) pairs in optically excited semiconductors is studied using the two-band Hubbard model with both repulsive and attractive interactions. Applying the self-consistent t-matrix approximation combined with a local approximation, we examine the properties of a normal phase and an excitonic instability. The transition temperature from the normal phase to an e-h pair condensed one is studied to clarify the crossover from an e-h BCS-like state to an excitonic Bose-Einstein condensation, which takes place on increasing the e-h …
The Bose condensation of 2D dipolar excitons in quantum wells is numerically studied by the diffusion Monte Carlo simulation method. The correlation, microscopic, thermodynamic, and spectral characteristics are calculated. It is shown that, in structures of coupled quantum wells, in which low-temperature features of exciton luminescence have presently been observed, dipolar excitons form a strongly correlated system. Their Bose condensation can experimentally be achieved much easily than for ideal or weakly correlated excitons.
We explore the spontaneous formation of an excitonic insulator state at the semimetal-semiconductor transition of mixed-valence materials in the framework of the spinless Falicov-Kimball model with direct $f$-$f$ electron hopping. Adapting the projector-based renormalization method, we obtain a set of renormalization differential equations for the extended Falicov-Kimball model parameters and finally derive analytical expressions for the order parameter, as well as for the renormalized $c$- and $f$-electron dispersions, momentum distributions, and wave-vector resolved single-particle spectral …
We act on the suggestion that an excitonic insulator state might separate---at very low temperatures---a semimetal from a semiconductor and ask for the nature of these transitions. Based on the analysis of electron-hole pairing in the extended Falicov-Kimball model, we show that tuning the Coulomb attraction between both species, a continuous crossover between a BCS-like transition of Cooper-type pairs and a Bose-Einstein condensation of preformed tightly-bound excitons might be achieved in a solid-state system. The precursor of this crossover in the normal state might cause the transport anom…
We study the orbital diamagnetic susceptibility in excitonic condensation phase using the meanfield approximation for a two-band model defined on a square lattice. We find that, in semiconductors, the excitonic condensation acquires a finite diamagnetic susceptibility due to spontaneous hybridization between the valence and the conduction bands, whereas in semimetals, the diamagnetic susceptibility in the normal phase is suppressed by the excitonic condensation. We also study the orbital diamagnetic and Pauli paramagnetic susceptibilities of Ta2NiSe5 using a two-dimensional three-band model an…
We study the many-body physics in thin film topological band insulator, where the inter-edge Coulomb interaction can lead to an exciton condensation transition. We investigate the universality class of the exciton condensation quantum critical point. With different chemical potentials and interactions, the exciton condensation can belong to z = 2 mean field, or 3d XY, or Yukawa-Higgs universality classes. The interplay between exciton condensate and the time-reversal symmetry breaking is also discussed. Predictions of our work can be tested experimentally by tuning the chemical potentials on b…
We report on small-cluster exact-diagonalization calculations which prove the formation of electron-hole pairs (excitons) as prerequisite for spontaneous interlayer phase coherence in bilayer systems described by the extended Falicov-Kimball model. Evaluating the anomalous Green's function and momentum distribution function of the pairs, and thereby analyzing the dependence of the exciton binding energy, condensation amplitude, and coherence length on the Coulomb interaction strength, we demonstrate a crossover between a BCS-like electron-hole pairing transition and a Bose-Einstein condensatio…
The extended version of our reply to Comment on ``Critical Velocities in Exciton Superfluidity'' by S. G. Tikhodeev (Phys. Rev. Lett., 84 (2000), 3502 or from http://prl.aps.org/) is presented here. The principal question is discussed: does the moving exciton-phonon packet contain the coherent `nucleus', or the exciton-phonon condensate?
The idea of exciton condensation in solids was introduced in 1960's with the analogy to superconductivity in mind. While exciton supercurrents have been realized only in artificial quantum-well structures so far, the application of the concept of excitonic condensation to bulk solids leads to a rich spectrum of thermodynamic phases with diverse physical properties. In this review we discuss recent developments in the theory of exciton condensation in systems described by Hubbard-type models. In particular, we focus on the connections to their various strong-coupling limits that have been studi…
We studied the possibility of exciton condensation in a strongly correlated bilayer extended Hubbard model using Determinant Quantum Monte Carlo. To model both the onsite repulsion U and the interlayer interaction V we introduced a novel update scheme extending the standard Sherman-Morrison update. We observe that the sign problem increases dramatically with the inclusion of the interlayer interaction V, which prohibits at this stage a unequivocal conclusion regarding the presence of exciton condensation. However, enhancement of the interlayer tunneling results suggest that the strongest excit…
The stability of the excitonic condensation at low temperature driven by a coupling of electrons to vibrational degrees of freedom in semimetal two-dimensional electronic system is discussed. In the framework of the unrestricted Hartree-Fock approximation, we derive a set of equations to determine both the excitonic condensate order parameter and lattice displacement self-consistently. By lowering temperature we find out a semimetal-insulator transition in the system if the coupling is large enough. The insulating state typifies an excitonic condensation accompanied by a finite lattice distort…
The microscopic quantum interference associated with excitonic condensation in Ta$_2$NiSe$_5$ is studied in the BCS-type mean-field approximation. We show that in ultrasonic attenuation the coherence peak appears just below the transition temperature $T_{\rm c}$ whereas in NMR spin-lattice relaxation the rate rapidly decreases below $T_{\rm c}$; these observations can offer a crucial experimental test for the validity of the excitonic condensation scenario in Ta$_2$NiSe$_5$. We also show that the excitonic condensation manifests itself in a jump of the heat capacity at $T_{\rm c}$ as well as i…
We consider a two-orbital Hubbard model with Hund coupling and crystal-field splitting and show that in the vicinity of the high-spin/low-spin transition, crystal-field quenches can induce an excitonic condensation at initial temperatures above the highest ordering temperature in equilibrium. This condensation is the effect of an increase in the spin entropy and an associated cooling of the effective electronic temperature. We identify a dynamical phase transition and show that such quenches can result in long-lived nonthermal excitonic condensates which have no analogue in the equilibrium pha…
Motivated by recent observation of magnetic field induced transition in LaCoO3 we study the effect of external field in systems close to instabilities towards spin-state ordering and exciton condensation. We show that, while in both cases the transition can be induced by an external field, temperature dependencies of the critical field have opposite slopes. Based on this result we argue that the experimental observations select the exciton condensation scenario. We show that such condensation is possible due to high mobility of the intermediate spin excitations. The estimated width of the corr…
We address the lattice instability of 1T-TiSe2 in the framework of the exciton condensate phase. We show that, at low temperature, condensed excitons influence the lattice through electron-phonon interaction. It is found that at zero temperature, in the exciton condensate phase of 1T-TiSe2, this exciton condensate exerts a force on the lattice generating ionic displacements comparable in amplitude to what is measured in experiment. This is thus the first quantitative estimation of the amplitude of the periodic lattice distortion observed in 1T-TiSe2 as a consequence of the exciton condensate p…
We estimate the condensation temperature for microcavity polaritons, allowing for their internal structure. We consider polaritons formed from localised excitons in a planar microcavity, using a generalised Dicke model. At low densities, we find a condensation temperature T_c \propto ρ, as expected for a gas of structureless polaritons. However, as T_c becomes of the order of the Rabi splitting, the structure of the polaritons becomes relevant, and the condensation temperature is that of a B.C.S.-like mean field theory. We also calculate the excitation spectrum, which is related to observable …
An extended, spinless Falicov-Kimball model in the presence of perpendicular magnetic field is investigated employing Hartree-Fock self-consistent mean-field theory in two dimensions. In the presence of an orbital field the hybridization-dependence of the excitonic average ${ Δ=<{{d_i}^\dagger} {f_i}>}$ is modified. The exciton responses in subtle different ways for different chosen values of the magnetic flux consistent with Hofstadter's well-known spectrum. The excitonic average is suppressed by the application of magnetic field. We further examine the effect of Coulomb interaction and $f$-e…
We show that finite temperature variational cluster approximation (VCA) calculations on an extended Falicov-Kimball model can reproduce angle-resolved photoemission spectroscopy (ARPES) results on Ta2NiSe5 across a semiconductor-to-semiconductor structural phase transition at 325 K. We demonstrate that the characteristic temperature dependence of the flat-top valence band observed by ARPES is reproduced by the VCA calculation on the realistic model for an excitonic insulator only when the strong excitonic fluctuation is taken into account. The present calculations indicate that Ta2NiSe5 falls …
Bose condensation has shaped our understanding of macroscopic quantum phenomena, having been realized in superconductors, atomic gases, and liquid helium. Excitons are bosons that have been predicted to condense into either a superfluid or an insulating electronic crystal. Using the recently developed momentum-resolved electron energy-loss spectroscopy (M-EELS), we study electronic collective modes in the transition metal dichalcogenide semimetal, 1T-TiSe$_2$. Near the phase transition temperature, T$_c$ = 190 K, the energy of the electronic mode falls to zero at nonzero momentum, indicating d…
We use a combination of dynamical mean-field model calculations and LDA+U material specific calculations to investigate the low temperature phase transition in the compounds from the (Pr$_{1-y}$R$_y$)$_x$Ca$_{1-x}$CoO$_3$ (R=Nd, Sm, Eu, Gd, Tb, Y) family (PCCO). The transition, marked by a sharp peak in the specific heat, leads to an exponential increase of dc resistivity and a drop of the magnetic susceptibility, but no order parameter has been identified yet. We show that condensation of spin-triplet, atomic-size excitons provides a consistent explanation of the observed physics. In particul…
We investigate the nature of the magnetic excitations of a bilayer single-orbital Hubbard model in the intermediate-coupling regime. This model exhibits a quantum phase transition (QPT) between a paramagnetic (PM) and an insulating antiferromagnetic (AFM) phase at a critical value of the coupling strength. By using the random phase approximation, we show that the QPT is continuous when the PM state is a band insulator and that the corresponding quantum critical point (QCP) arises from the condensation of preformed excitons. These low-energy excitons reemerge on the other side of the QCP as the…
We use fermionic path integral quantum Monte Carlo to study the effects of fermion flavor on the physical properties of dipolar exciton condensates in double layer systems. We find that by including spin in the system weakens the effective interlayer interaction strength, yet this has very little effect on the Kosterlitz-Thouless transition temperature. We further find that, to obtain the correct description of screening, it is necessary to account for correlation in both the interlayer and intralayer interactions. We show that while the excitonic binding cannot completely surpress screening b…
We study the spontaneous symmetry breaking of the excitonic insulator state induced by the Coulomb interaction $U$ in the two-dimensional extended Falicov-Kimball model. Using the variational cluster approximation (VCA) and Hartree-Fock approximation (HFA), we evaluate the order parameter, single-particle excitation gap, momentum distribution functions, coherence length of excitons, and single-particle and anomalous excitation spectra, as a function of $U$ at zero temperature. We find that in the weak-to-intermediate coupling regime, the Fermi surface plays an essential role and calculated res…
We study the excitonic insulating (EI) phase in the two-band Hubbard models on the Penrose tiling. Performing the real-space mean-field calculations systematically, we obtain the ground state phase diagrams for the vertex and center models. We find that, in some regimes, the stable EI phase is induced by small interband interactions. We argue that this originates from the electron-hole pairing for the completely or nearly degenerate states, which are characteristic of the Penrose tiling. We also study spatial distribution of the order parameter, mapping it to the perpendicular space.
We present a unified theory of luminescence spectra for highly excited semiconductors, which is applicable both to the electron-hole BCS state and to the exciton Bose-Einstein condensate. The crossover behavior between electron-hole BCS state and exciton Bose-Einstein condensate clearly manifests itself in the calculated luminescence spectra. The analysis is based on the Bethe-Salpeter equation combined with the generalized random-phase-approximation, which enables us to consider the multiple Coulomb scattering and the quantum fluctuation associated with the center-of-mass motion of electron-h…
That excitons in solids might condense into a phase-coherent ground state was proposed about 40 years ago, and has been attracting experimental and theoretical attention ever since. Although experimental confirmation has been hard to come by, the concepts released by this phenomenon have been widely influential. This tutorial review discusses general aspects of the theory of exciton and polariton condensates, focussing on the reasons for coherence in the ground state wavefunction, the BCS to Bose crossover(s) for excitons and for polaritons, and the relationship of the coherent condensates to …
We study by a consistent mean-field scheme the role on the single- and two-particle properties of a local electron-electron repulsion in the Bernevig, Hughes and Zhang model of a quantum spin Hall insulator. We find that the interaction fosters the intrusion between the topological and non-topological insulators of a new insulating and magnetoelectric phase that breaks spontaneously inversion and time reversal symmetries, but not their product. The approach to this phase from both topological and non-topological sides is signalled by the softening of two exciton branches, i.e., whose binding e…
We provide an analytic solution for the mean-field equations and for the relevant physical quantities at the Gaussian level, in terms of the complete elliptic integrals of the first and second kinds, for the crossover problem from BCS superconductivity to Bose-Einstein condensation of a three-dimensional system of free fermions interacting via an attractive contact potential at zero temperature. This analytic solution enables us to follow the evolution between the two limits in a particularly simple and transparent way, as well as to verify the absence of singularities during the evolution.
Fractionalized phases are studied in a low energy theory of exciton bose condensate in a multi-band insulator. It is shown that U(1) gauge theory with either fractionalized boson or fermion can emerge out of a single model depending on the coupling constants. Both the statistics and spin of the fractionalized particles are dynamically determined, satisfying the spin-statistics theorem in the continuum limit. We present two mutually consistent descriptions for the fractionalization. In the first approach, it is shown that fractionalized degree of freedom emerges from reduced phase space constra…
The density-matrix-renormalization-group (DMRG) method and the Hartree-Fock (HF) approximation with the charge-density-wave (CDW) instability are used to study a formation and condensation of excitonic bound states in the generalized Falicov-Kimball model. In particular, we examine effects of various factors, like the $f$-electron hopping, the local and nonlocal hybridization, as well as the increasing dimension of the system on the excitonic momentum distribution $N(q)$ and especially on the number of zero momentum excitons $N_0=N(q=0)$ in the condensate. It is found that the negative values …
Motivated by the possibility of pressure-induced exciton condensation in intermediate-valence Tm[Se,Te] compounds we study the Falicov-Kimball model extended by a finite f-hole valence bandwidth. Calculating the Frenkel-type exciton propagator we obtain excitonic bound states above a characteristic value of the local interband Coulomb attraction. Depending on the system parameters coherence between c- and f-states may be established at low temperatures, leading to an excitonic insulator phase. We find strong evidence that the excitonic insulator typifies either a BCS condensate of electron-hol…
We outline a microscopic approach to the superconducting fluctuations and pairing correlations in the attractive Hubbard model above Tc, using the functional integral method. A crossover from BCS superconductivity to Bose condensation of preformed pairs is studied by constructing the appropriate Ginzburg-Landau functionals. The differences between the lattice and the continuum models are discussed. The case of quasi-two-dimensional superconductors as well as the model with non-local pairing interaction are also examined. The effects of gaussian fluctuations of the order parameter are analyzed …
We investigate magnetic excitations in iridium insulators with pentavalent Ir$^{5+}$ ($5d^4$) ions with strong spin-orbit coupling. We obtain a microscopic model based on the local Ir$^{5+}$ multiplets involving $J=0$ (singlet), $J=1$ (triplet), and $J=2$ (quintet) spin-orbital states. We get effective interactions between these multiplets on square and face-centered-cubic (fcc) structures of magnetic ions in the layered-perovskites and the double-perovkites, in particular Ba$_2$YIrO$_6$. Further, we derive an effective spin-orbital Hamiltonian in terms of bond bosons and explore possible inst…
We have succeeded in trapping indirect excitons in coupled quantum wells in a harmonic potential minimum via inhomogeneous applied stress and electric field. These excitons exhibit a strong Stark shift (over 60 meV), long lifetime (100 ns), and high diffusivity (1000 cm$^2$/s). This approach is very promising for obtaining the high exciton density needed for Bose condensation of excitons in two dimensions.
We show that the coupling to vibrational degrees of freedom can drive a semimetal excitonic-insulator quantum phase transition in an one-dimensional two-band f-c electron system at zero temperature. The insulating state typifies an excitonic condensate accompanied by a finite lattice distortion. Using the projector-based renormalization method we analyze the ground-state and spectral properties of the interacting electron-phonon model at half-filling. In particular we calculate the momentum dependence of the excitonic order parameter function and determine the finite critical interaction stren…
Extensive theoretical and experimental investigation has been conducted on fermion pair condensation and exciton condensation as distinct classes of Bose-Einstein-like condensation. In this work, the existence of a fermion-exciton condensate---a single quantum state in which character of both fermion pair and exciton condensates coexist---is established computationally in the low-particle-number ($N$) limit and theoretically in the large-$N$ thermodynamic limit. The trade-off between the fermion pair and excitonic character of the fermion-exciton condensate is shown to be elliptic in nature. T…
The competition of interactions implies the compensation of standard mechanisms which leads to the emergence of exotic phases between conventional phases. The extended Hubbard model (EHM) is a fundamental example for the competition of the local Hubbard interaction and the nearest-neighbor density-density interaction, which at half-filling and in one dimension leads to a bond order wave (BOW) between a charge density wave (CDW) and a quasi-long-range order Mott insulator (MI). We study the full momentum-resolved excitation spectrum of the one dimensional EHM in the CDW phase and clarify the re…
Slave rotor mean field (SRMF) theory is employed to study exciton formation in the extended Falicov-Kimball Model (EFKM). In this theory, charge and spin (or orbital) degrees are treated as independent degrees of freedom, coupled by a constraint. Using this formalism in single as well as cluster extension, we capture the effective many body scales beyond conventional mean-field theory. While the formation of exciton is favored by the interband hybridization $V$, it is strongly influenced by the on-site Coulomb interaction $U$. Beyond a critical hybridization, there is a condensation of exciton…
The formation and condensation of excitonic bound states of conduction-band electrons and valence-band holes surely belongs to one of the most exciting ideas of contemporary solid state physics. In this short review we present the latest progress in this field reached by the density-matrix-renormalization-group (DMRG) calculations within various extensions of the Falicov-Kimball model. Particular attention is paid to a description of crucial mechanisms (interactions) that affect the stability of the excitonic phase, and namely: (i) the interband $d$-$f$ Coulomb interaction, (ii) the $f$-electr…
We study the single-plane-wave Larkin-Ovchinnikov-Fulde-Ferrell (LOFF) states for BCS--Bose-Einstein condensation (BEC) crossover at general temperatures $T$. Because we include the important effects of noncondensed pairs, our $T \neq 0$ phase diagrams are different from those reported in earlier work. We find that generalized LOFF phases may be the ground state for a wide range of (weak through moderately strong) interactions, including the unitary regime. However, these LOFF phases are readily destroyed by non-zero $T$.
The condensation of electron-hole (e-h) pairs is studied at zero temperature and in the presence of a weak spin-orbit coupling (SOC) in the inversion-layer quantum wells. Under realistic conditions, a perturbative SOC can have observable effects in the order parameter of the experimentally long-searched-for excitonic condensate. Firstly, the fermion exchange symmetry is absent for the e-h pairs indicating a counterexample to the known classification schemes of fermion pairing. With the lack of fermion exchange, the condensate spin has no definite parity. Additionally, the excitonic SOC breaks …
It is shown that the interconversion mechanism for the triplet excitons in Cu_2O suggested recently by G.M. Kavoulakis and A. Mysyrowicz in cond-mat/0001438 can be tested by the two-photon direct creation of the triplet excitons.
Exciton condensation indicating the spontaneous formation of electron-hole pair can cause the phase transition from a semimetal to an excitonic insulator by gap opening at the Fermi surface. While the idea of this excitonic insulator has been proposed for decades, current theoretical approaches can only provide qualitative descriptions, and a quantitative predicting tool is still missing. To shed insight on this problem, we developed an $ab~initio$ method based on the finite-temperature density functional theory and many-body perturbation theory to compute the exciton condensation critical beh…
We use a Bogoliubov-de Gennes (BdG) formulation to describe a single vortex in a neutral fermionic gas. It is presumed that the attractive pairing interaction can be arbitrarily tuned to exhibit a crossover from BCS to Bose-Einstein condensation. Our starting point is the BCS-Leggett mean field ground state for which a BdG approach is microscopically justified. At strong coupling, we demonstrate that this approach is analytically equivalent to the Gross-Pitaevskii description of vortices in true bosonic systems. We analyze the sizable density depletion found for the unitary regime and relate i…
Angle-resolved photoemission spectroscopy (ARPES) is a powerful probe of electron correlations in two-dimensional layered materials. In this Letter we demonstrate that ARPES can be used to probe the onset of exciton condensation in spatially-separated systems of electrons and holes created by gating techniques in either double-layer graphene or topological-insulator thin films.
The Bose-Einstein condensation of excitons into a single quantum state is known as exciton condensation. Exciton condensation, which potentially supports the frictionless flow of energy, has recently been realized in graphene bilayers and van der Waals heterostructures. Here we show that exciton condensates can be predicted from a combination of reduced density matrix theory and cumulant theory. We show that exciton condensation occurs if and only if there exists a large eigenvalue in the cumulant part of the particle-hole reduced density matrix. In the thermodynamic limit we show that the lar…
The condensation of spin-orbit-induced excitons in $(t_{2g})^4$ electronic systems is attracting considerable attention. In the large Hubbard U limit, antiferromagnetism was proposed to emerge from the Bose-Einstein Condensation (BEC) of triplons ($J_{\textrm{eff}} = 1$). In this publication, we show that even for the weak and intermediate U regimes, the spin-orbit exciton condensation is possible leading also to staggered magnetic order. The canonical electron-hole excitations (excitons) transform into local triplon excitations at large U , and this BEC strong coupling regime is smoothly conn…
Tunneling spectroscopy reveals evidence for interlayer electron-hole correlations in quantum Hall bilayer two-dimensional electron systems at layer separations near, but above, the transition to the incompressible exciton condensate at total Landau level filling $ν_T=1$. These correlations are manifested by a non-linear suppression of the Coulomb pseudogap which inhibits low energy interlayer tunneling in weakly-coupled bilayers. The pseudogap suppression is strongest at $ν_T=1$ and grows rapidly as the critical layer separation for exciton condensation is approached from above.
Coupled states of semiconductor quantum well (QW) excitons and photons in a two dimensional (2D) periodic lattice of microcavities are analyzed theoretically, revealing allowed bands and forbidden gaps in the energy spectrum of exciton polaritons. Photonic crystal exciton polaritons have spatially uniform excitonic constituent set by flat QWs, but exhibit periodic Bloch oscillations in the plane of QWs due to their photonic component. The envelope functions of photonic crystal exciton polaritons can be tailored via effective potential of a photonic crystal heterostructure, by using quasi-perio…
We show that an interlayer exciton condensate doped into a strongly correlated Mott insulator exhibits a remarkable enhancement of the bandwidth of the magnetic excitations (triplons). This triplon is visible in the dynamical magnetic susceptibility and can be measured using resonant inelastic X-ray scattering. The bandwidth of the triplon scales with the exciton superfluid density, but only in the limit of strong correlations. As such the triplon bandwidth acts as a probe of exciton-spin interactions in the condensate.
