Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:cond-mat/0206571 · Physical review. B, Condensed matter

Quantum impurity solvers using a slave rotor representation

Serge Florens, Antoine Georges

Published Oct 29, 2002• 112 citations
arXivHTMLPDF

Abstract

We introduce a representation of electron operators as a product of a spin-carrying fermion and of a phase variable dual to the total charge (slave quantum rotor). Based on this representation, a method is proposed for solving multiorbital Anderson quantum impurity models at finite interaction strength U. It consists in a set of coupled integral equations for the auxiliary field Green's functions, which can be derived from a controlled saddle point in the limit of a large number of field components. In contrast to some finite-$U$ extensions of the noncrossing approximation, the method provides a smooth interpolation between the atomic limit and the weak-coupling limit, and does not display violation of causality at low frequency. We demonstrate that this impurity solver can be applied in the context of dynamical mean-field theory, at or close to half-filling. Good agreement with established results on the Mott transition is found, and large values of the orbital degeneracy can be investigated at low computational cost.

DOI
10.1103/physrevb.66.165111

Related papers

Slave-rotor mean-field theories of strongly correlated systems and the Mott transition in finite dimensions

Serge Florens, Antoine Georges

The multiorbital Hubbard model is expressed in terms of quantum phase variables (``slave rotors'') conjugate to the local charge, and of auxiliary fermions, providing an economical representation of the Hilbert space of strongly correlated systems. When the phase variables are treated in a local mean-field manner, similar results to the dynamical mean-field theory are obtained, namely a Brinkman-Rice transition at commensurate fillings together with a ``preformed'' Mott gap in the single-particle density of states. The slave-rotor formalism allows to go beyond the local description and take into account spatial correlations, following an analogy to the superfluid-insulator transition of bosonic systems. We find that the divergence of the effective mass at the metal-insulator transition is suppressed by short range magnetic correlations in finite-dimensional systems. Furthermore, the strict separation of energy scales between the Fermi-liquid coherence scale and the Mott gap, found in the local picture, holds only approximately in finite dimensions, due to the existence of low-energy collective modes related to zero-sound.

arXiv:cond-mat/0404334•Physical Review B•Jul 27, 2004•268 citations

Interpolative approach for solving the Anderson impurity model

Sergey Yu. Savrasov, V. S. Oudovenko, Kristjan Haule +2 more

A rational representation for the self-energy is explored to interpolate the solution of the Anderson impurity model in the general orbitally degenerate case. Several constraints such as Friedel's sum rule and the positions of the Hubbard bands, as well as the value of the quasiparticle residue, are used to establish the equations for the coefficients of the interpolation. We employ two fast techniques, the slave-boson mean-field and the Hubbard I approximations, to determine the functional dependence of the coefficients on doping, degeneracy, and the strength of the interaction. The obtained spectral functions and self-energies are in good agreement with the results of the numerically exact quantum Monte Carlo method.

arXiv:cond-mat/0410410•Physical Review B•Mar 31, 2005•21 citations

Quantum Monte Carlo impurity solvers for multi-orbital problems and frequency-dependent interactions

Hiroshi Shinaoka, Fakher F. Assaad, Nils Blümer +1 more

The solution of an auxiliary quantum impurity system is the computationally expensive step in dynamical mean field theory simulations of lattice models and materials. In this review, we discuss Monte Carlo based impurity solvers, which are suitable for a wide range of applications. In particular, we present an efficient implementation of the hybridization expansion approach, which enables the simulation of multiorbital impurity problems with off-diagonal and complex hybridizations, and dynamically screened (retarded) density-density interactions. As a complementary approach, we discuss an impurity solver based on the determinant Monte Carlo method, which scales favorably with inverse temperature and hence provides access to the very low temperature regime. The usefulness of these state-of-the-art impurity solvers is demonstrated with applications to the downfolding problem, i.e., the systematic derivation of dynamically screened interactions for low-energy effective models, and to pyrochlore iridates, where the spin-orbit coupling leads to complex hybridization functions in a multi-orbital system. As a benchmark for cluster extensions of dynamical mean field theory, we also present results from lattice Monte Carlo simulations for the momentum dependence of the pseudo-gap in the half-filled two-dimensional Hubbard model.

The European Physical Journal Special Topics•Jul 1, 2017•11 citations

Asymptotically exact mean-field theory for the Anderson model including double occupancy

J. Holm, Reiner Kree, Kurt Schönhammer

The Anderson impurity model for finite values of the Coulomb repulsion U is studied using a slave-boson representation for the empty and doubly occupied f level. In order to avoid well-known problems with a naive mean-field theory for the boson fields, we use the coherent-state-path integral representation to first integrate out the double-occupancy slave bosons. The resulting effective action is linearized using two-time auxiliary fields. After integration over the fermionic degrees of freedom, one obtains an effective action suitable for a 1/${\mathit{N}}_{\mathit{f}}$ expansion. The same problem remains concerning the constraint as in the infinite U case. For T\ensuremath{\rightarrow}0 and ${\mathit{N}}_{\mathit{f}}$\ensuremath{\rightarrow}\ensuremath{\infty}, exact results for the ground-state properties are recovered in the saddle-point approximation. Numerical solutions of the saddle-point equations show that even in the spin-degenerate case ${\mathit{N}}_{\mathit{f}}$=2 the results are quite good.

arXiv:cond-mat/9305028•Physical review. B, Condensed matter•Aug 15, 1993•13 citations

Slave-spin approach to the strongly correlated systems

Mardani, Masoud, Mohammad-Sadegh Vaezi, Abolhassan Vaezi

In this paper, we develop a new type of slave particle method which is similar to the slave rotor model except that the quantum rotor is substituted by a spin one slave particle. The spin-one slave particle itself can be represented in terms of Schwinger bosons/fermions. This approach is more conveniently applicable to the strongly correlated Hamiltonians with on-site Hubbard interaction and resolves the limitations of using the slave rotor model as well as the Anderson-Zou slave particle technique. For instance, the mean-field parameters of the slave spin method do not vanish above the Mott transition and this approach is smoothly connected to the non-interacting limit. As an example, we study the phase diagram of the Kane-Mele-Hubbard model using our current approach. In the absence of the spin-orbit interaction, the Mott transition occurs at $U_c ~ 3 t_1$. Several aspects of the slave spin method, its gauge theory and various possible mean-field states associated with this approach have been discussed.

arXiv:1111.5980•Nov 25, 2011•3 citations

Dual Fermion Approach to Disordered Correlated Systems

Patrick Haase

Disorder is ubiquitous in real materials and influences the physical properties like the conductivity to varying degrees. If electron-electron interactions are strong, theoretical and numerical treatment of these systems becomes challenging. In this thesis a numerical approach is developed to address these systems, treating both interactions and disorder on equal footing. The approach is based on the dual fermion approach for interacting systems developed by Rubtsov et al. Terletska et al. applied the ideas of the dual fermion approach to disordered non-interacting systems. In this approach, the replica trick is used to integrate out the disorder in favor of an effective electron-electron interaction. We extended the approach from Terletska et al. to treat disordered interacting systems. Dual Fermions allow to take into account non-local fluctuations by means of a perturbative expansion around an impurity problem. The impurity reference system is determined self-consistently, analogously to the dynamical mean-field theory. The perturbative expansion is expected to yield good results for small and large values of interaction strength and disorder. A priori, it is not clear what to expect for intermediate values, but experience shows that oftentimes good results are obtained for this region. An advantage of the dual fermion approach is that there is no sign-problem for a single orbital model if quantum Monte Carlo is used to solve the interacting reference system. Additionally, perturbation theory is usually numerically much cheaper than fully solving an interacting lattice or cluster problem. Thus, the dual fermion approach allows to address regions of parameter space that are not accessible to lattice quantum Monte Carlo calculations or cluster extension of dynamical mean-field theory. Cluster extensions of the dynamical mean-field theory are for example the dynamical cluster approximation or the cellular dynamical mean-field theory. The new approach is benchmarked with respect to the Anderson-Falicov-Kimball model. The Anderson-Hubbard model is the main application. For both models, the algorithm is tested in one dimension for the single particle Green function and compared to the dynamical cluster approximation to estimate the quality of the results. The Anderson-Falicov-Kimball model is studied further in two dimensions and the phase diagram on the disorder-interaction plane is calculated from both the single particle Green function and the dc conductivity. For the Anderson-Hubbard model, the antiferromagnetic phase transition, the Mott transition and the Anderson transition are investigated in three dimensions. The dynamical mean-field theory results are qualitatively confirmed for the most part. Quantitative corrections are in agreement with dynamical cluster approximation results, thus confirming the validity of the results. We found a qualitative difference between the dual fermion approach and dynamical mean-field theory for the temperature dependence of the hysteresis of the double occupancy. The dual fermion result shows a decreasing lower critical interaction strength for decreasing temperature, which is in contrast with the dynamical mean-field result that shows an increase of the lower critical interaction strength. This behavior happens for small temperatures that are not accessible using for example the dynamical cluster approximation, thus highlighting the usefulness of the dual fermion approach. We found this behavior for all values of the disorder that we considered.

•Jan 1, 2015•0 citations
We introduce a representation of electron operators as a product of a spin-carrying fermion and of a phase variable dual to the total charge (slave quantum rotor). Based on this representation, a method is proposed for solving multiorbital Anderson quantum impurity models at finite interaction strength U. It consists in a set of coupled integral equations for the auxiliary field Green's functions, which can be derived from a controlled saddle point in the limit of a large number of field components. In contrast to some finite-UUU extensions of the noncrossing approximation, the method provides a smooth interpolation between the atomic limit and the weak-coupling limit, and does not display violation of causality at low frequency. We demonstrate that this impurity solver can be applied in the context of dynamical mean-field theory, at or close to half-filling. Good agreement with established results on the Mott transition is found, and large values of the orbital degeneracy can be investigated at low computational cost.
The multiorbital Hubbard model is expressed in terms of quantum phase variables (``slave rotors'') conjugate to the local charge, and of auxiliary fermions, providing an economical representation of the Hilbert space of strongly correlated systems. When the phase variables are treated in a local mean-field manner, similar results to the dynamical mean-field theory are obtained, namely a Brinkman-Rice transition at commensurate fillings together with a ``preformed'' Mott gap in the single-particle density of states. The slave-rotor formalism allows to go beyond the local description and take into account spatial correlations, following an analogy to the superfluid-insulator transition of bosonic systems. We find that the divergence of the effective mass at the metal-insulator transition is suppressed by short range magnetic correlations in finite-dimensional systems. Furthermore, the strict separation of energy scales between the Fermi-liquid coherence scale and the Mott gap, found in the local picture, holds only approximately in finite dimensions, due to the existence of low-energy collective modes related to zero-sound.
A rational representation for the self-energy is explored to interpolate the solution of the Anderson impurity model in the general orbitally degenerate case. Several constraints such as Friedel's sum rule and the positions of the Hubbard bands, as well as the value of the quasiparticle residue, are used to establish the equations for the coefficients of the interpolation. We employ two fast techniques, the slave-boson mean-field and the Hubbard I approximations, to determine the functional dependence of the coefficients on doping, degeneracy, and the strength of the interaction. The obtained spectral functions and self-energies are in good agreement with the results of the numerically exact quantum Monte Carlo method.
The solution of an auxiliary quantum impurity system is the computationally expensive step in dynamical mean field theory simulations of lattice models and materials. In this review, we discuss Monte Carlo based impurity solvers, which are suitable for a wide range of applications. In particular, we present an efficient implementation of the hybridization expansion approach, which enables the simulation of multiorbital impurity problems with off-diagonal and complex hybridizations, and dynamically screened (retarded) density-density interactions. As a complementary approach, we discuss an impurity solver based on the determinant Monte Carlo method, which scales favorably with inverse temperature and hence provides access to the very low temperature regime. The usefulness of these state-of-the-art impurity solvers is demonstrated with applications to the downfolding problem, i.e., the systematic derivation of dynamically screened interactions for low-energy effective models, and to pyrochlore iridates, where the spin-orbit coupling leads to complex hybridization functions in a multi-orbital system. As a benchmark for cluster extensions of dynamical mean field theory, we also present results from lattice Monte Carlo simulations for the momentum dependence of the pseudo-gap in the half-filled two-dimensional Hubbard model.
The Anderson impurity model for finite values of the Coulomb repulsion U is studied using a slave-boson representation for the empty and doubly occupied f level. In order to avoid well-known problems with a naive mean-field theory for the boson fields, we use the coherent-state-path integral representation to first integrate out the double-occupancy slave bosons. The resulting effective action is linearized using two-time auxiliary fields. After integration over the fermionic degrees of freedom, one obtains an effective action suitable for a 1/Nf{\mathit{N}}_{\mathit{f}}Nf​ expansion. The same problem remains concerning the constraint as in the infinite U case. For T\ensuremath{\rightarrow}0 and Nf{\mathit{N}}_{\mathit{f}}Nf​\ensuremath{\rightarrow}\ensuremath{\infty}, exact results for the ground-state properties are recovered in the saddle-point approximation. Numerical solutions of the saddle-point equations show that even in the spin-degenerate case Nf{\mathit{N}}_{\mathit{f}}Nf​=2 the results are quite good.
In this paper, we develop a new type of slave particle method which is similar to the slave rotor model except that the quantum rotor is substituted by a spin one slave particle. The spin-one slave particle itself can be represented in terms of Schwinger bosons/fermions. This approach is more conveniently applicable to the strongly correlated Hamiltonians with on-site Hubbard interaction and resolves the limitations of using the slave rotor model as well as the Anderson-Zou slave particle technique. For instance, the mean-field parameters of the slave spin method do not vanish above the Mott transition and this approach is smoothly connected to the non-interacting limit. As an example, we study the phase diagram of the Kane-Mele-Hubbard model using our current approach. In the absence of the spin-orbit interaction, the Mott transition occurs at Uc 3t1U_c ~ 3 t_1Uc​ 3t1​. Several aspects of the slave spin method, its gauge theory and various possible mean-field states associated with this approach have been discussed.
Disorder is ubiquitous in real materials and influences the physical properties like the conductivity to varying degrees. If electron-electron interactions are strong, theoretical and numerical treatment of these systems becomes challenging. In this thesis a numerical approach is developed to address these systems, treating both interactions and disorder on equal footing. The approach is based on the dual fermion approach for interacting systems developed by Rubtsov et al. Terletska et al. applied the ideas of the dual fermion approach to disordered non-interacting systems. In this approach, the replica trick is used to integrate out the disorder in favor of an effective electron-electron interaction. We extended the approach from Terletska et al. to treat disordered interacting systems. Dual Fermions allow to take into account non-local fluctuations by means of a perturbative expansion around an impurity problem. The impurity reference system is determined self-consistently, analogously to the dynamical mean-field theory. The perturbative expansion is expected to yield good results for small and large values of interaction strength and disorder. A priori, it is not clear what to expect for intermediate values, but experience shows that oftentimes good results are obtained for this region. An advantage of the dual fermion approach is that there is no sign-problem for a single orbital model if quantum Monte Carlo is used to solve the interacting reference system. Additionally, perturbation theory is usually numerically much cheaper than fully solving an interacting lattice or cluster problem. Thus, the dual fermion approach allows to address regions of parameter space that are not accessible to lattice quantum Monte Carlo calculations or cluster extension of dynamical mean-field theory. Cluster extensions of the dynamical mean-field theory are for example the dynamical cluster approximation or the cellular dynamical mean-field theory. The new approach is benchmarked with respect to the Anderson-Falicov-Kimball model. The Anderson-Hubbard model is the main application. For both models, the algorithm is tested in one dimension for the single particle Green function and compared to the dynamical cluster approximation to estimate the quality of the results. The Anderson-Falicov-Kimball model is studied further in two dimensions and the phase diagram on the disorder-interaction plane is calculated from both the single particle Green function and the dc conductivity. For the Anderson-Hubbard model, the antiferromagnetic phase transition, the Mott transition and the Anderson transition are investigated in three dimensions. The dynamical mean-field theory results are qualitatively confirmed for the most part. Quantitative corrections are in agreement with dynamical cluster approximation results, thus confirming the validity of the results. We found a qualitative difference between the dual fermion approach and dynamical mean-field theory for the temperature dependence of the hysteresis of the double occupancy. The dual fermion result shows a decreasing lower critical interaction strength for decreasing temperature, which is in contrast with the dynamical mean-field result that shows an increase of the lower critical interaction strength. This behavior happens for small temperatures that are not accessible using for example the dynamical cluster approximation, thus highlighting the usefulness of the dual fermion approach. We found this behavior for all values of the disorder that we considered.