Efficient calculation of imaginary time displaced correlation functions in the projector auxiliary field quantum Monte-Carlo algorithm

The calculation of imaginary time displaced correlation functions with the auxiliary field projector quantum Monte-Carlo algorithm provides valuable insight (such as spin and charge gaps) in the model under consideration. One of the authors and M. Imada [F.F. Assaad and M. Imada, J. Phys. Soc. Jpn. 65 189 (1996).] have proposed a numerically stable method to compute those quantities. Although precise this method is expensive in CPU time. Here, we present an alternative approach which is an order of magnitude quicker, just as precise, and very simple to implement. The method is based on the observation that for a given auxiliary field the equal time Green function matrix, $G$, is a projector: $G^2 = G$.Comment: 4 papes, 1 figure in eps forma

Metamagnetism and Lifshitz Transitions in Models for Heavy Fermions

We investigate metamagnetic transitions in models for heavy fermions by considering the doped Kondo lattice model in two dimensions. Results are obtained within the framework of dynamical mean field and dynamical cluster approximations. Universal magnetization curves for different temperatures and Kondo couplings develop upon scaling with the lattice coherence temperature. Furthermore, the coupling of the local moments to the magnetic field is varied to take into account the different Land\'e factors of localized and itinerant electrons. The competition between the lattice coherence scale and the Zeeman energy scale allows for two interpretations of the metamagnetism in heavy fermions: Kondo breakdown or Lifshitz transitions. By tracking the single-particle residue through the transition, we can uniquely conclude in favor of the Lifshitz transition scenario. In this scenario, a quasiparticle band drops below the Fermi energy which leads to a change in topology of the Fermi surface.Comment: 8 pages, 7 figure

Reply to a Comment on ``Projective Quantum Monte Carlo Method for the Anderson Impurity Model and its Application to Dynamical Mean Field Theory''

In our reply, we show that the objections put forward in cond-mat/0508763 concerning our paper, Phys. Rev. Lett. 93, 136405 (2004), are not valid: (i) There is no orthogonality catastrophe (OC) for our calculations, and it is also generally not ``unpractical'' to avoid it. (ii) The OC does not affect our results.Comment: 1 page, 1 figure, Phys. Rev. Lett. in print; also note cond-mat/050944

Luttinger Liquid Physics and Spin-Flip Scattering on Helical Edges

We investigate electronic correlation effects on edge states of quantum spin-Hall insulators within the Kane-Mele-Hubbard model by means of quantum Monte Carlo simulations. Given the U(1) spin symmetry and time-reversal invariance, the low-energy theory is the helical Tomanaga-Luttinger model, with forward scattering only. For weak to intermediate interactions, this model correctly describes equal-time spin and charge correlations, including their doping dependence. As apparent from the Drude weight, bulk states become relevant in the presence of electron-electron interactions, rendering the forward-scattering model incomplete. Strong correlations give rise to slowly decaying transverse spin fluctuations, and inelastic spin-flip scattering strongly modifies the single-particle spectrum, leading to graphene-like edge state signatures. The helical Tomanaga-Luttinger model is completely valid only asymptotically in the weak-coupling limit.Comment: 5 pages, 5 figures (modified version with additional data

Doping induced metal-insulator transition in two-dimensional Hubbard, t−Ut-U, and extended Hubbard, t−U−Wt-U-W, models

We show numerically that the nature of the doping induced metal-insulator transition in the two-dimensional Hubbard model is radically altered by the inclusion of a term, $W$, which depends upon a square of a single-particle nearest-neighbor hopping. This result is reached by computing the localization length, $\xi_l$, in the insulating state. At finite values of $W$ we find results consistent with $\xi_l \sim | \mu - \mu_c|^{- 1/2}$ where $\mu_c$ is the critical chemical potential. In contrast, $\xi_l \sim | \mu - \mu_c|^{-1/4}$ for the Hubbard model. At finite values of $W$, the presented numerical results imply that doping the antiferromagnetic Mott insulator leads to a $d_{x^2 - y ^2}$ superconductor.Comment: 19 pages (latex) including 7 figures in encapsulated postscript format. Submitted for publication in Phys. Rev.