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Register a new userAnisotropy of Electrical Transport in Pnictide Superconductors Studied Using Monte Carlo Simulations of the Spin-Fermion Model
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The undoped three-orbital spin fermion model for the Fe-based superconductors is studied via Monte Carlo techniques in two-dimensional clusters. At low temperatures, the magnetic and one-particle spectral properties are in good agreement with neutron and photoemission experiments. Our most important results are the resistance vs. temperature curves that display all the features experimentally observed in BaFe$_2$As$_2$ detwinned single crystals (under uniaxial stress), including a low-temperature anisotropy between the two directions followed by a peak at the magnetic ordering temperature, here induced by short-range spin order and concomitant Fermi Surface orbital order.
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We report large scale determinant Quantum Monte Carlo calculations of the effective bandwidth, momentum distribution, and magnetic correlations of the square lattice fermion Hubbard Hamiltonian at half-filling. The sharp Fermi surface of the non-interacting limit is significantly broadened by the electronic correlations, but retains signatures of the approach to the edges of the first Brillouin zone as the density increases. Finite size scaling of simulations on large lattices allows us to extract the interaction dependence of the antiferromagnetic order parameter, exhibiting its evolution from weak coupling to the strong coupling Heisenberg limit. Our lattices provide improved resolution of the Greens function in momentum space, allowing a more quantitative comparison with time-of-flight optical lattice experiments.
We study a trapped system of fermions with an attractive zero-range two-body interaction using the Shell-Model Monte Carlo method. The method provides {em ab initio} results in the low $N$ limit where mean-field theory is not applicable. The energy and pairing properties are presented as functions of interaction strength, particle number, and temperature. In the interesting region where typical matrix elements of the two-body interaction are comparable to the level spacing of the trap we find large odd-even effects and signatures of shell structure. As a function of temperature, we observe the disappearance of these effects as in a phase transition.
We discuss a projector Monte Carlo method for quantum spin models formulated in the valence bond basis, using the S=1/2 Heisenberg antiferromagnet as an example. Its singlet ground state can be projected out of an arbitrary basis state as the trial state, but a more rapid convergence can be obtained using a good variational state. As an alternative to first carrying out a time consuming variational Monte Carlo calculation, we show that a very good trial state can be generated in an iterative fashion in the course of the simulation itself. We also show how the properties of the valence bond basis enable calculations of quantities that are difficult to obtain with the standard basis of Sz eigenstates. In particular, we discuss quantities involving finite-momentum states in the triplet sector, such as the dispersion relation and the spectral weight of the lowest triplet.
Over the last several years, a new generation of quantum simulations has greatly expanded our understanding of charge density wave phase transitions in Hamiltonians with coupling between local phonon modes and the on-site charge density. A quite different, and interesting, case is one in which the phonons live on the bonds, and hence modulate the electron hopping. This situation, described by the Su-Schrieffer-Heeger (SSH) Hamiltonian, has so far only been studied with quantum Monte Carlo in one dimension. Here we present results for the 2D SSH model, and show that a bond ordered wave (BOW) insulator is present in the ground state at half-filling, and argue that a critical value of the electron-phonon coupling is required for its onset, in contradistinction with the 1D case where BOW exists for any nonzero coupling. We determine the precise nature of the bond ordering pattern, which has hitherto been controversial, and the critical transition temperature, which is associated with a spontaneous breaking of ${cal Z}_4$ symmetry.
We have examined the behavior of the compressibility, the dc-conductivity, the single-particle gap, and the Drude weight as probes of the density-driven metal-insulator transition in the Hubbard model on a square lattice. These quantities have been obtained through determinantal quantum Monte Carlo simulations at finite temperatures on lattices up to 16 X 16 sites. While the compressibility, the dc-conductivity, and the gap are known to suffer from `closed-shell effects due to the presence of artificial gaps in the spectrum (caused by the finiteness of the lattices), we have established that the former tracks the average sign of the fermionic determinant (<sign>), and that a shortcut often used to calculate the conductivity may neglect important corrections. Our systematic analyses also show that, by contrast, the Drude weight is not too sensitive to finite-size effects, being much more reliable as a probe to the insulating state. We have also investigated the influence of the discrete imaginary-time interval (Deltatau) on <sign>, on the average density (rho), and on the double occupancy (d): we have found that <sign> and rho are more strongly dependent on Delta tau away from closed-shell configurations, but d follows the Deltatau^2 dependence in both closed- and open-shell cases.
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