arXiv subjects

Mark Jarrell

Publications and source records attributed to Mark Jarrell.

At least 37 records · Page 2Linked to original sources

arXiv2014

Three Dimensional Edwards-Anderson Spin Glass Model in an External Field

We study the Edwards-Anderson model on a simple cubic lattice with a finite constant external field. We employ an indicator composed of a ratio of susceptibilities at finite wavenumbers, which was recently proposed to avoid the difficulties of a zero momentum quantity, for capturing the spin glass phase transition. Unfortunately, this new indicator is fairly noisy, so a large pool of samples at low temperature and small external field are needed to generate results with sufficiently small statistical error for analysis. We thus implement the Monte Carlo method using graphics processing units to drastically speedup the simulation. We confirm previous findings that conventional indicators for the spin glass transition, including the Binder ratio and the correlation length do not show any indication of a transition for rather low temperatures. However, the ratio of spin glass susceptibilities do show crossing behavior, albeit a systematic analysis is beyond the reach of the present data. This calls for a more thorough study of the three-dimension Edwards-Anderson model in an external field.

cond-mat.stat-mech↗

arXiv2013

Parallel Tempering Simulation of the three-dimensional Edwards-Anderson Model with Compact Asynchronous Multispin Coding on GPU

Monte Carlo simulations of the Ising model play an important role in the field of computational statistical physics, and they have revealed many properties of the model over the past few decades. However, the effect of frustration due to random disorder, in particular the possible spin glass phase, remains a crucial but poorly understood problem. One of the obstacles in the Monte Carlo simulation of random frustrated systems is their long relaxation time making an efficient parallel implementation on state-of-the-art computation platforms highly desirable. The Graphics Processing Unit (GPU) is such a platform that provides an opportunity to significantly enhance the computational performance and thus gain new insight into this problem. In this paper, we present optimization and tuning approaches for the CUDA implementation of the spin glass simulation on GPUs. We discuss the integration of various design alternatives, such as GPU kernel construction with minimal communication, memory tiling, and look-up tables. We present a binary data format, Compact Asynchronous Multispin Coding (CAMSC), which provides an additional $28.4\%$ speedup compared with the traditionally used Asynchronous Multispin Coding (AMSC). Our overall design sustains a performance of 33.5 picoseconds per spin flip attempt for simulating the three-dimensional Edwards-Anderson model with parallel tempering, which significantly improves the performance over existing GPU implementations.

cond-mat.dis-nn↗

arXiv2013

Complex phases in the doped two-species bosonic Hubbard Model

We study a two-dimensional bosonic Hubbard model with two hard-core species away from half filling using Quantum Monte Carlo simulations. The model includes a repulsive interspecies interaction and different nearest-neighbor hopping terms for the two species. By varying the filling we find a total of five distinct phases, including a normal liquid phase at higher temperature, and four different phases at lower temperature. We find an anti-ferromagnetically ordered Mott insulator and a region of coexistent anti-ferromagnetic and superfluid phases near half filling. Further away from half filling the phase diagram displays a superfluid phase and a novel phase inside the superfluid region at even lower temperatures. In this novel phase separated region, the heavy species has a Mott behavior with integer filling, while the lighter species shows phase separated Mott and superfluid behaviors.

cond-mat.quant-gas↗

arXiv2013

Evolution of the Superconductivity Dome in the two dimensional Hubbard Model

In a recent publication [Chen et al., Phys. Rev. B 86, 165136 (2012)], we identified a line of Lifshitz transition points separating the Fermi liquid and pseudogap regions in the hole-doped two dimensional Hubbard model. Here we extend the study to further determine the superconducting transition temperature in the phase diagram. By means of large-scale dynamical cluster quantum Monte Carlo simulations, we are able to identify the evolution of the d-wave superconducting dome in the hole-dope side of the phase diagram, with next-nearest-neighbor hopping (t'), chemical potential and temperature as control parameters. To obtain the superconducting transition temperature Tc, we employ two-particle measurements of the pairing susceptibilities. As t' goes from positive to negative values, we find the d-wave projected irreducible pairing vertex function is enhanced, and the curvature of its doping dependence changes from convex to concave, which fixes the position of the maximum superconducting temperature at the same filling (n close to 0.85) and constraints the dome from precisely following the Lifshitz line. We furthermore decompose the irreducible vertex function into fully irreducible, charge and spin components via the parquet equations, and consistently find that the spin component dominates the pairing vertex function in the doping range where the dome is located. Our investigations deepen the understanding of the phase diagram of the two dimensional Hubbard model.

cond-mat.supr-con↗

arXiv2013

First-Principle Wannier function analysis of the electronic structure of PdTe: Weaker magnetism and superconductivity

We report a first-principles Wannier function study of the electronic structure of PdTe. Its electronic structure is found to be a broad three-dimensional Fermi surface with highly reduced correlations effects. In addition, the higher filling of the Pd $d$-shell, its stronger covalency resulting from the closer energy of the Pd-$d$ and Te-$p$ shells, and the larger crystal field effects of the Pd ion due to its near octahedral coordination all serve to weaken significantly electronic correlations in the particle-hole (spin, charge, and orbital) channel. In comparison to the Fe Chalcogenide e.g., FeSe, we highlight the essential features (quasi-two-dimensionality, proximity to half-filling, weaker covalency, and higher orbital degeneracy) of Fe-based high-temperature superconductors.

cond-mat.supr-con↗

arXiv2013

Unconventional superconductivity on the triangular lattice Hubbard model

Using large-scale dynamical cluster quantum Monte Carlo simulations, we explore the unconventional superconductivity in the hole-doped Hubbard model on the triangular lattice. Due to the interplay of electronic correlations, geometric frustration, and Fermi surface topology, we find a doubly degenerate singlet pairing state at an interaction strength close to the bare bandwidth. Such an unconventional superconducting state is mediated by antiferromagnetic spin fluctuations along the $Γ$-$K$ direction, where the Fermi surface is nested. An exact decomposition of the irreducible particle-particle vertex further confirms the dominant component of the effective pairing interaction comes from the spin channel. Our findings provide support for chiral $d +i d$ superconductivity in water-intercalated sodium cobaltates Na$_{x}$CoO$_{2} \cdot y$H$_{2}$O, as well as insight into the superconducting phases of the organic compounds $κ$-(ET)$_{2}$X and Pd(dmit)$_{2}$.

cond-mat.str-el↗

arXiv2013

Phase diagram of the Bose-Hubbard model on a ring-shaped lattice with tunable weak links

Motivated by recent experiments on toroidal Bose-Einstein condensates in all-optical traps with tunable weak links, we study the one-dimensional Bose-Hubbard model on a ring-shaped lattice with a small region of weak hopping integrals using quantum Monte Carlo simulations. Besides the usual Mott insulating and superfluid phases, we find a phase which is compressible but non superfluid with a local Mott region. This `local Mott' phase extends in a large region of the phase diagram. These results suggest that the insulating and conducting phases can be tuned by a local parameter which may provide a new insight to the design of atomtronic devices.

cond-mat.quant-gas↗

arXiv2013

Unconventional Superconductivity from Local Spin Fluctuations in the Kondo Lattice

The explanation of heavy-fermion superconductivity is a long-standing challenge to theory. It is commonly thought to be connected to non-local fluctuations of either spin or charge degrees of freedom and therefore of unconventional type. Here we present results for the Kondo-lattice model, a paradigmatic model to describe heavy-fermion compounds, obtained from dynamical mean-field theory which captures local correlation effects only. Unexpectedly, we find robust s-wave superconductivity in the heavy-fermion state. We argue that this novel type of pairing is tightly connected to the formation of heavy quasiparticle bands and the presence of strong local spin fluctuations.

cond-mat.str-el↗

arXiv2013

The Boson-Hubbard Model on a Kagome Lattice with Sextic Ring-Exchange Terms

High order ring-exchange interactions are crucial for the study of quantum fluctuations on highly frustrated systems. We present the first exact quantum Monte Carlo study of a model of hard-core bosons with sixth order ring-exchange interactions on a two-dimensional kagome lattice. By using the Stochastic Green Function algorithm, we show that the system becomes unstable in the limit of large ring-exchange interactions. It undergoes a phase separation at all fillings, except at 1/3 and 2/3 fillings for which the superfluid density vanishes and an unusual mixed valence bond and charge density ordered solid is formed.

cond-mat.quant-gas↗

arXiv2012

Lifshitz Transition in the Two Dimensional Hubbard Model

Using large-scale dynamical cluster quantum Monte Carlo simulations, we study the Lifshitz transition of the two dimensional Hubbard model with next-nearest-neighbor hopping ($t'$), chemical potential and temperature as control parameters. At $t'\le0$, we identify a line of Lifshitz transition points associated with a change of the Fermi surface topology at zero temperature. In the overdoped region, the Fermi surface is complete and electron-like; across the Lifshitz transition, the Fermi surface becomes hole-like and develops a pseudogap. At (or very close to) the Lifshitz transition points, a van Hove singularity in the density of states crosses the Fermi level. The van Hove singularity occurs at finite doping due to correlation effects, and becomes more singular when $t'$ becomes more negative. The resulting temperature dependence on the bare d-wave pairing susceptibility close to the Lifshitz points is significantly different from that found in the traditional van Hove scenarios. Such unambiguous numerical observation of the Lifshitz transition at $t'\le0$ extends our understanding of the quantum critical region in the phase diagram, and shines lights on future investigations of the nature of the quantum critical point in the two dimensional Hubbard model.

cond-mat.str-el↗

arXiv2012

Periodic Anderson model with electron-phonon correlated conduction band

This paper reports dynamical mean field calculations for the periodic Anderson model in which the conduction band is coupled to phonons. Motivated in part by recent attention to the role of phonons in the $γ$-$α$ transition in Ce, this model yields a rich and unexpected phase diagram which is of intrinsic interest. Specifically, above a critical value of the electron-phonon interaction, a first order transition with two coexisting phases develops in the temperature-hybridization plane, which terminates at a second order critical point. The coexisting phases display the familiar Kondo screened and local moment character, yet they also exhibit pronounced polaronic and bipolaronic properties, respectively.

cond-mat.str-el↗

arXiv2012

Imaginary-time quantum many-body theory out of equilibrium II: Analytic continuation of dynamic observables and transport properties

Within the imaginary-time theory for nonequilibrium in quantum dot systems the calculation of dynamical quantities like Green's functions is possible via a suitable quantum Monte-Carlo algorithm. The challenging task is to analytically continue the imaginary-time data for both complex voltage and complex frequency onto the real variables. To this end a function-theoretical description of dynamical observables is introduced and discussed within the framework of the mathematical theory of several complex variables. We construct a feasible maximum-entropy algorithm for the analytical continuation by imposing a continuity assumption on the analytic structure and provide results for spectral functions in stationary non-equilibrium and current-voltage characteristics for different values of the dot charging energy.

cond-mat.str-el↗

arXiv2011

Spectral properties of the three-dimensional Hubbard model

We present momentum resolved single-particle spectra for the three-dimensional Hubbard model for the paramagnetic and antiferromagnetically ordered phase obtained within the dynamical cluster approximation. The effective cluster problem is solved by continuous-time Quantum Monte Carlo simulations. The absence of a time discretization error and the ability to perform Monte Carlo measurements directly in Matsubara frequencies enable us to analytically continue the self-energies by maximum entropy, which is essential to obtain momentum resolved spectral functions for the N'eel state. We investigate the dependence on temperature and interaction strength and the effect of magnetic frustration introduced by a next-nearest neighbor hopping. One particular question we address here is the influence of the frustrating interaction on the metal insulator transition of the three-dimensional Hubbard model.

cond-mat.str-el↗

arXiv2011

The response to dynamical modulation of the optical lattice for fermions in the Hubbard model

Fermionic atoms in a periodic optical lattice provide a realization of the single-band Hubbard model. Using Quantum Monte Carlo simulations along with the Maximum Entropy Method, we evaluate the effect of a time-dependent perturbative modulation of the optical lattice amplitude on atomic correlations, revealed in the fraction of doubly-occupied sites. Our treatment extends previous approaches which neglected the time dependence of the on-site interaction, and shows that this term changes the results in a quantitatively significant way. The effect of modulation depends strongly on the filling-- the response of the double occupation is significantly different in the half-filled Mott insulator from the doped Fermi liquid region.

cond-mat.quant-gas↗

arXiv2011

Proximity of the Superconducting Dome and the Quantum Critical Point in the Two-Dimensional Hubbard Model

We use the dynamical cluster approximation to understand the proximity of the superconducting dome to the quantum critical point in the two-dimensional Hubbard model. In a BCS formalism, $T_c$ may be enhanced through an increase in the d-wave pairing interaction ($V_d$) or the bare pairing susceptibility ($χ_{0d}$). At optimal doping, where $V_d$ is revealed to be featureless, we find a power-law behavior of $χ_{0d}(ω=0)$, replacing the BCS log, and strongly enhanced $T_c$. We suggest experiments to verify our predictions.

cond-mat.supr-con↗

arXiv2010

Comment on "Measurement of x-ray absorption spectra of overdoped high-temperature cuprate superconductors: Inapplicability of the single-band Hubbard model"

In a recent Letter, Peets, et al. measured the x-ray intensity at the oxygen K-edge in overdoped La$_{2-x}$Sr$_x$CuO$_{4\pmδ}$ (LSCO) and Tl$_2$Ba$_2$CuO$_{6+δ}$. They claimed that, unlike the underdoped samples of LSCO and YBa$_2$Cu$_3$O$_x$ in which the integrated intensity increases at least linearly with doping, it saturates abruptly for a hole count exceeding $x\approx 0.23$. They interpreted the saturation as a breakdown of the 1-band Hubbard model in the cuprates. However, we show that their results are in quantitative agreement with the 1-band Hubbard model.

cond-mat.str-el↗

arXiv2010

Dynamical Cluster Quantum Monte Carlo Study of the Single Particle Spectra of Strongly Interacting Fermion Gases

We study the single-particle spectral function of resonantly-interacting fermions in the unitary regime, as described by the three-dimensional attractive Hubbard model in the dilute limit. Our approach, based on the Dynamical Cluster Approximation and the Maximum Entropy Method, shows the emergence of a gap with decreasing temperature, as reported in recent cold-atom photoemission experiments, for coupling values that span the BEC-BCS crossover. By comparing the behavior of the spectral function to that of the imaginary time dynamical pairing susceptibility, we attribute the development of the gap to the formation of local bound atom pairs.

cond-mat.quant-gas↗

arXiv2010

Continuous-Time Quantum Monte Carlo and Maximum Entropy Approach to an Imaginary-Time Formulation of Strongly Correlated Steady-State Transport

Recently Han and Heary proposed an approach to steady-state quantum transport through mesoscopic structures, which maps the non-equilibrium problem onto a family of auxiliary quantum impurity systems subject to imaginary voltages. We employ continuous-time quantum Monte-Carlo solvers to calculate accurate imaginary time data for the auxiliary models. The spectral function is obtained from a maximum entropy analytical continuation in both Matsubara frequency and complexified voltage. To enable the analytical continuation we construct a kernel which is compatible with the analytical structure of the theory. While it remains a formidable task to extract reliable spectral functions from this unbiased procedure, particularly for large voltages, our results indicate that the method in principle yields results in agreement with those obtained by other methods.

cond-mat.str-el↗