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Mark Jarrell

Publications and source records attributed to Mark Jarrell.

At least 55 records · Page 3Linked to original sources
arXiv2010

Nonlocal effects on magnetism in the diluted magnetic semiconductor Ga_{1-x}Mn_{x}As

The magnetic properties of the diluted magnetic semiconductor Ga_{1-x}Mn_{x}As are studied within the dynamical cluster approximation. We use the k-dot-p Hamiltonian to describe the electronic structure of GaAs with spin-orbit coupling and strain effects. We show that nonlocal effects are essential for explaining the experimentally observed transition temperature and saturation magnetization. We also demonstrate that the cluster anisotropy is very strong and induces rotational frustration and a cube-edge direction magnetic anisotropy at low temperature. With this, we explain the temperature-driven spin reorientation in this system.

cond-mat.str-el↗
arXiv2009

The relationship between Hirsch-Fye and weak coupling diagrammatic Quantum Monte Carlo methods

Two weak coupling Continuous Time Quantum Monte Carlo (CTQMC) methods are shown to be equivalent for Hubbard-like interactions. A relation between these CTQMC methods and the Hirsch-Fye Quantum Monte Carlo (HFQMC) method is established, identifying the latter as an approximation within CTQMC and providing a diagrammatic interpretation. Both HFQMC and CTQMC are shown to be equivalent when the number of time slices in HFQMC becomes infinite, implying the same degree of fermion sign problem in this limit.

cond-mat.str-el↗
arXiv2008

Bond excitations in the pseudogap phase of the Hubbard Model

Using the dynamical cluster approximation, we calculate the correlation functions associated with the nearest neighbor bond operator which measure the z component of the spin exchange in the two-dimensional Hubbard model with $U$ equal to the bandwidth. We find that in the pseudogap region, the local bond susceptibility diverges at T=0. This shows the existence of degenerate bond spin excitation and implies quantum criticality and bond order formation when long range correlations are considered. The strong correlation between excitations on parallel neighboring bonds suggests bond singlet dimerization. The suppression of divergence for $n< \approx 0.78$ implies that tor these model parameters this is quantum critical point which separates the unconventional pseudogap region characterized by bond order from a conventional Fermi liquid.

cond-mat.str-el↗
arXiv2008

The isotope effect in the Hubbard model with local phonons

The isotope effect (IE) in the two-dimensional Hubbard model with Holstein phonons is studied using the dynamical cluster approximation with quantum Monte Carlo. At small electron-phonon (EP) coupling the IE is negligible. For larger EP coupling there is a large and positive IE on the superconducting temperature that decreases with increasing doping. A significant IE also appears in the low-energy density of states, kinetic energy and charge excitation spectrum. A negligible IE is found in the pseudogap and antiferromagnetic (AF) properties at small doping whereas the AF susceptibility at intermediate doping increases with decreasing phonon frequency $ω_0$. This IE stems from increased polaronic effects with decreasing $ω_0$. A larger IE at smaller doping occurs due to stronger polaronic effects determined by the interplay of the EP interaction with stronger AF correlations. The IE of the Hubbard-Holstein model exhibits many similarities with the IE measured in cuprate superconductors.

cond-mat.str-el↗
arXiv2006

Suppression of superconductivity in the Hubbard model by buckling and breathing phonons

We study the effect of buckling and breathing phonons, relevant for cuprate superconductors, on the d-wave superconductivity in the two-dimensional Hubbard model by employing dynamical cluster Monte Carlo calculations. The interplay of electronic correlations and the electron-phonon interaction produces two competing effects, an enhancement of the effective d-wave pairing interaction, which favors d-wave superconductivity, and a strong renormalization of the single-particle propagator, which suppress superconductivity. Due to the later effect we find that buckling and breathing phonons suppress the superconductivity in the region of parameter space relevant for cuprate superconductors.

cond-mat.str-el↗
arXiv2006

Synergistic Polaron Formation in the Hubbard-Holstein Model at Small Doping

We study the effect of dynamical Holstein phonons on the physics of the Hubbard model at small doping using the dynamical cluster approximation on a $2\times2$ cluster. Non-local antiferromagnetic correlations are found to significantly enhance the electron-phonon coupling, resulting in polaron formation for moderate coupling strengths. At finite doping, the electron-phonon coupling is found to strongly enhance the non-local spin correlations, indicating a synergistic interplay between the electron-phonon coupling and antiferromagnetic correlations. Although it enhances the pairing interaction, the electron-phonon coupling is found to decrease the superconducting transition temperature, due to the reduction in the quasiparticle fraction.

cond-mat.str-el↗
arXiv2006

Pseudogap and antiferromagnetic correlations in the Hubbard model

Using the dynamical cluster approximation and quantum monte carlo we calculate the single-particle spectra of the Hubbard model with next-nearest neighbor hopping $t'$. In the underdoped region, we find that the pseudogap along the zone diagonal in the electron doped systems is due to long range antiferromagnetic correlations. The physics in the proximity of $(0,π)$ is dramatically influenced by $t'$ and determined by the short range correlations. The effect of $t'$ on the low energy ARPES spectra is weak except close to the zone edge. The short range correlations are sufficient to yield a pseudogap signal in the magnetic susceptibility, produce a concomitant gap in the single-particle spectra near $(π,π/2)$ but not necessarily at a location in the proximity of Fermi surface.

cond-mat.str-el↗
arXiv2005

Transition Temperature of a Magnetic Semiconductor with Angular Momentum j

We employ dynamical mean-field theory to identify the materials properties that optimize Tc for a generalized double-exchange (DE) model. We reach the surprising conclusion that Tc achieves a maximum when the band angular momentum j equals 3/2 and when the masses in the 1/2 and 3/2 sub-bands are equal. However, we also find that Tc is significantly reduced as the ratio of the masses decreases from one. Consequently, the search for dilute magnetic semiconductors (DMS) materials with high Tc should proceed on two fronts. In semiconductors with p bands, such as the currently studied Mn-doped Ge and GaAs semiconductors, Tc may be optimized by tuning the band masses through strain engineering or artificial nanostructures. On the other hand, semiconductors with s or d bands with nearly equal effective masses might prove to have higher Tc's than p-band materials with disparate effective masses.

cond-mat.str-el↗
arXiv2005

Thermodynamic Consistency of the Dynamical Mean-Field Theory of the Double-Exchange Model

Although diagrammatic perturbation theory fails for the dynamical-mean field theory of the double-exchange model, the theory is nevertheless Phi-derivable and hence thermodynamically consistent, meaning that the same thermodynamic properties are obtained from either the partition function or the Green's function. We verify this consistency by evaluating the magnetic susceptibility and Curie temperature for any Hund's coupling.

cond-mat.str-el↗
arXiv2004

Absence of the d-Density Wave State in 2D Hubbard Model

Using the Dynamical Cluster Approximation (DCA) we calculate the alternating circulating-current susceptibility and investigate the transition to the d-density wave (DDW) order in the two-dimensional Hubbard model. The 2 x 2 cluster used in the DCA calculation is the smallest that can capture d-wave order; therefore, due to the mean-field character of our calculation, we expect to overestimate d-wave transition temperatures. Despite this, we found no transition to the DDW state. In the pseudogap region the DDW susceptibility is enhanced, as predicted by the slave boson SU(2) theory, but it still is much smaller than the d-wave pairing susceptibility.

cond-mat.str-el↗
arXiv2004

Two-dimensional Hubbard-Holstein bipolaron

We present a diagrammatic Monte Carlo study of the properties of the Hubbard-Holstein bipolaron on a two-dimensional square lattice. With a small Coulomb repulsion, U, and with increasing electron-phonon interaction, and when reaching a value about two times smaller than the one corresponding to the transition of light polaron to heavy polaron, the system suffers a sharp transition from a state formed by two weakly bound light polarons to a heavy, strongly bound on-site bipolaron. Aside from this rather conventional bipolaron a new bipolaron state is found for large U at intermediate and large electron-phonon coupling, corresponding to two polarons bound on nearest-neighbor sites. We discuss both the properties of the different bipolaron states and the transition from one state to another. We present a phase diagram in parameter space defined by the electron-phonon coupling and U. Our numerical method does not use any artificial approximation and can be easily modified to other bipolaron models with longer range electron-phonon and/or electron-electron interaction.

cond-mat.str-el↗
arXiv2003

A novel FLEX supplemented QMC approach to the Hubbard model

This paper introduces a novel ansatz-based technique for solution of the Hubbard model over two length scales. Short range correlations are treated exactly using a dynamical cluster approximation QMC simulation, while longer-length-scale physics requiring larger cluster sizes is incorporated through the introduction of the fluctuation exchange (FLEX) approximation. The properties of the resulting hybrid scheme are examined, and the description of local moment formation is compared to exact results in 1D. The effects of electron-electron coupling and electron doping on the shape of the Fermi-surface are demonstrated in 2D. Causality is examined in both 1D and 2D. We find that the scheme is successful if QMC clusters of $N_C\ge 4$ are used (with sufficiently high temperatures in 1D), however very small QMC clusters of $N_C=1$ lead to acausal results.

cond-mat.str-el↗
arXiv1999

"Exhaustion" Physics in the Periodic Anderson Model using Iterated Perturbation Theory

We discuss the "exhaustion" problem in the context of the Periodic Anderson Model using Iterated Perturbation Theory(IPT) within the Dynamical Mean Field Theory. We find that, despite its limitations, IPT captures the exhaustion physics, which manifests itself as a dramatic, strongly energy dependent suppression of the effective Anderson impurity problem. As a consequence, low energy scales in the lattice case are strongly suppressed compared to the "Kondo scale" in the single-impurity picture. The IPT results are in qualitative agreement with recent Quantum Monte Carlo results for the same problem.

cond-mat.str-el↗
arXiv1999

A Maximum Entropy Method of Obtaining Thermodynamic Properties from Quantum Monte Carlo Simulations

We describe a novel method to obtain thermodynamic properties of quantum systems using Baysian Inference -- Maximum Entropy techniques. The method is applicable to energy values sampled at a discrete set of temperatures from Quantum Monte Carlo Simulations. The internal energy and the specific heat of the system are easily obtained as are errorbars on these quantities. The entropy and the free energy are also obtainable. No assumptions as to the specific functional form of the energy are made. The use of a priori information, such as a sum rule on the entropy, is built into the method. As a non-trivial example of the method, we obtain the specific heat of the three-dimensional Periodic Anderson Model.

cond-mat↗
arXiv1999

Approximate scaling relation for the anharmonic electron-phonon problem

An approximate scaling relation is found for the transition temperature to a charge-density-wave instability in the anharmonic electron-phonon problem, which maps a wide range of interaction strengths, anharmonicities, and phonon frequencies onto a common functional form. The relation employs the wave-function renormalization parameter and is valid even for systems that are not Fermi liquids.

cond-mat.supr-con↗
arXiv1998

Vertex-corrected perturbation theory for the electron-phonon problem with non-constant density of states

A series of weak-coupling perturbation theories which include the lowest-order vertex corrections are applied to the attractive Holstein model in infinite dimensions. The approximations are chosen to reproduce the iterated perturbation theory in the limit of half-filling and large phonon frequency (where the Holstein model maps onto the Hubbard model). Comparison is made with quantum Monte Carlo solutions to test the accuracy of different approximation schemes.

cond-mat.supr-con↗
arXiv1996

Phase Diagram of the Two-Channel Kondo Lattice

The phase diagram of the two-channel Kondo lattice model is examined with a Quantum Monte Carlo simulation in the limit of infinite dimensions. Commensurate (and incommensurate) antiferromagnetic and superconducting states are found. The antiferromagnetic transition is very weak and continuous; whereas the superconducting transition is discontinuous to an odd-frequency channel-singlet and spin-singlet pairing state.

cond-mat↗