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arXiv:cond-mat/0411306 · Physical Review B

Quantum Monte Carlo study of disordered fermions

Ji-Woo Lee, Shailesh Chandrasekharan A, Harold U. Baranger

Published Jul 15, 2005• 3 citations
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Abstract

We study a strongly correlated fermionic model with attractive interactions in the presence of disorder in two spatial dimensions. Our model has been designed so that it can be solved using the recently discovered meron-cluster approach. Although the model is unconventional it has the same symmetries as the Hubbard model. Since the naive algorithm is inefficient, we develop an algorithm by combining the meron-cluster technique with the directed-loop update. This combination allows us to compute the pair susceptibility and the winding number susceptibility accurately. We find that the $s$-wave superconductivity, present in the clean model, does not disappear until the disorder reaches a temperature dependent critical strength. The critical behavior as a function of disorder close to the phase transition belongs to the Berezinky-Kosterlitz-Thouless universality class as expected. The fermionic degrees of freedom, although present, do not appear to play an important role near the phase transition.

DOI
10.1103/physrevb.72.024525

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We study a strongly correlated fermionic model with attractive interactions in the presence of disorder in two spatial dimensions. Our model has been designed so that it can be solved using the recently discovered meron-cluster approach. Although the model is unconventional it has the same symmetries as the Hubbard model. Since the naive algorithm is inefficient, we develop an algorithm by combining the meron-cluster technique with the directed-loop update. This combination allows us to compute the pair susceptibility and the winding number susceptibility accurately. We find that the sss-wave superconductivity, present in the clean model, does not disappear until the disorder reaches a temperature dependent critical strength. The critical behavior as a function of disorder close to the phase transition belongs to the Berezinky-Kosterlitz-Thouless universality class as expected. The fermionic degrees of freedom, although present, do not appear to play an important role near the phase transition.
An extension of the attractive Hubbard model is constructed to study the critical behavior near a finite-temperature superconducting phase transition in two dimensions using the recently developed meron-cluster algorithm. Unlike previous calculations in the attractive Hubbard model which were limited to small lattices, the algorithm is used to study the critical behavior on lattices as large as $128\ifmmode\times\else\texttimes\fi{}128.$ These precise results show that a fermionic system can undergo a finite temperature phase transition whose critical behavior is well described by the predictions of Kosterlitz and Thouless almost three decades ago. In particular it is confirmed that the spatial winding number susceptibility obeys the well known predictions of finite size scaling for T<TcT<{T}_{c}T<Tc​ and up to logarithmic corrections the pair susceptibility scales as ${L}^{2\ensuremath{-}\ensuremath{\eta}}$ at large volumes with $0<~\ensuremath{\eta}<~0.25$ for 0< T< Tc.0<~T<~{T}_{c}.0< T< Tc​.
We investigate the disorder-driven superconductor to insulator quantum phase transition (SIT) in an interacting fermion model using determinantal quantum Monte Carlo (QMC) methods. The disordered superconductor is modeled by an attractive Hubbard model with site disorder chosen randomly from a uniform distribution. The superconducting state which exists for small disorder is shown to evolve into an insulating phase beyond a critical disorder. The transition is tracked by the vanishing of (a) the superfluid stiffness, and (b) the charge stiffness or the delta function peak in the optical conductivity at zero frequency. We also show the behavior of the charge, spin, pair, and current correlations in the presence of disorder. Results for the temperature dependence of the dc conductivity, obtained by an approximate analytic continuation technique, are also presented both in the metallic phase above Tc{T}_{c}Tc​ and the insulating phase. We discuss some of the complications in extracting the resistance at the transition point.
Recent research shows that the partition function for a class of models involving fermions can be written as a statistical mechanics of clusters with positive definite weights. This new representation of the model allows one to construct novel algorithms. We illustrate this through models consisting of fermions with and without spin. A Hubbard type model with both attractive and repulsive interactions becomes tractable using the new approach. Precision results in the two dimensional attractive model confirm a superfluid phase transition in the Kosterlitz-Thouless universality class.
The meron-cluster algorithm was previously used to extensively study the physics associated with the spontaneous breaking of a discrete symmetry. We recently discovered that a larger class of models with spontaneous breaking of continuous symmetries can also be simulated using the meron-cluster algorithm. Here we study one of these new models which belongs to the attractive Hubbard model family. In particular we study the spontaneous breaking of the U(1) fermion number symmetry in two dimensions and find clear evidence for a Kosterlitz-Thouless transition to a superconducting phase. 1.
Disorder is ubiquitous in real materials and influences the physical properties like the conductivity to varying degrees. \nIf 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, \ntreating both interactions and disorder on equal footing. \nThe approach is based on the dual fermion approach for interacting systems developed by Rubtsov et al. \nTerletska 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. \nWe extended the approach from Terletska et al. to treat disordered interacting systems. \n \nDual 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 \ntheory. \nThe 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, \nbut experience shows that oftentimes good results are obtained for this region. \n \nAn 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. \nAdditionally, perturbation theory is usually numerically much cheaper than fully solving an interacting lattice or cluster problem. \nThus, 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. \nCluster extensions of the dynamical mean-field theory are for example the dynamical cluster approximation or the cellular dynamical mean-field theory. \n \nThe new approach is benchmarked with respect to the Anderson-Falicov-Kimball model. The Anderson-Hubbard model is the main application. \nFor 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. \nThe 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. \n \nFor 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 \nqualitatively confirmed for the most part. Quantitative corrections are in agreement with dynamical cluster approximation results, thus confirming the validity of the results. \nWe 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 \nshows 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. \nThis 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. \nWe found this behavior for all values of the disorder that we considered.
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.