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arXiv:1103.3003 · Physical Review B

Diagrammatic quantum Monte Carlo solution of the two-dimensional cooperon-fermion model

Kaiyu Yang, Evgeny Kozik, Xin Wang, Matthias Troyer

Published Jun 15, 2011• 13 citations
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Abstract

We investigate the two-dimensional cooperon-fermion model in the correlated regime with a continuous-time diagrammatic determinant quantum Monte Carlo algorithm. We estimate the transition temperature ${T}_{c}$, examine the effectively reduced band gap and cooperon mass, and find that delocalization of the cooperons enhances the diamagnetism. When applied to diamagnetism of the pseudogap phase in high-${T}_{c}$ cuprates, we obtain results in qualitative agreement with recent torque magnetization measurements.

DOI
10.1103/physrevb.83.214516

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The dual fermion approach provides a formally exact prescription for calculating properties of a correlated electron system in terms of a diagrammatic expansion around dynamical mean-field theory (DMFT). Most practical implementations, however, neglect higher-order interaction vertices beyond two-particle scattering in the dual effective action and further truncate the diagrammatic expansion in the two-particle scattering vertex to a leading-order or ladder-type approximation. In this work, we compute the dual fermion expansion for the two-dimensional Hubbard model including all diagram topologies with two-particle interactions to high orders by means of a stochastic diagrammatic Monte Carlo algorithm. We benchmark the obtained self-energy against numerically exact diagrammatic determinant Monte Carlo simulations to systematically assess convergence of the dual fermion series and the validity of these approximations. We observe that, from high temperatures down to the vicinity of the DMFT N\'eel transition, the dual fermion series converges very quickly to the exact solution in the whole range of Hubbard interactions considered ($4\ensuremath{\le}U/t\ensuremath{\le}12$), implying that contributions from higher-order vertices are small. As the temperature is lowered further, we observe slower series convergence, convergence to incorrect solutions, and ultimately divergence. This happens in a regime where magnetic correlations become significant. We find, however, that the self-consistent particle-hole ladder approximation yields reasonable and often even highly accurate results in this regime.
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Using a dual representation of lattice fermion models that is based on spin-charge transformation and fermionization of the original description, I derive an algorithm for diagrammatic Monte Carlo simulation of strongly correlated systems. This scheme allows eliminating large expansion parameters, as well as large corrections to the density matrix that generally prevent diagrammatic methods from being efficient in this regime. As an example, I compute the filling factor for the Hubbard model at infinite on-site repulsion and compare the results to controllable data obtained from numerical linked-cluster expansion. I find excellent agreement between the two methods, as well as rapid convergence of the diagrammatic series. I also report results for the momentum distribution and kinetic energy of the electrons.
We show that Monte Carlo sampling of the Feynman diagrammatic series (DiagMC) can be used for tackling hard fermionic quantum many-body problems in the thermodynamic limit by presenting accurate results for the repulsive Hubbard model in the correlated Fermi liquid regime. Sampling Feynman's diagrammatic series for the single-particle self-energy, we can study moderate values of the on-site repulsion ( U / t ∼4) and temperatures down to T / t =1/40. We compare our results with high-temperature series expansions and with single-site and cluster dynamical mean-field theory.
The origin of the pseudogap behavior, found in many high-TcT_cTc​ superconductors, remains one of the greatest puzzles in condensed matter physics. One possible mechanism is fermionic incoherence, which near a quantum critical point allows pair formation but suppresses superconductivity. Employing quantum Monte Carlo simulations of a model of itinerant fermions coupled to ferromagnetic spin fluctuations, represented by a quantum rotor, we report numerical evidence of pseudogap behavior, emerging from pairing fluctuations in a quantum-critical non-Fermi liquid. Specifically, we observe enhanced pairing fluctuations and a partial gap opening in the fermionic spectrum. However, the system remains non-superconducting until reaching a much lower temperature. In the pseudogap regime the system displays a gap-filling rather than gap-closing behavior, consistent with experimental observations. Our results provide the first unambiguous lattice model realization of a pseudogap state in a strongly correlated system, driven by superconducting fluctuations.