arXiv subjects

Jaime Merino

Publications and source records attributed to Jaime Merino.

34 records · Page 2Linked to original sources

arXiv2014

Spin liquid phase in a spatially anisotropic frustrated antiferromagnet

We explore the effect of the third nearest-neighbors on the magnetic properties of the Heisenberg model on an anisotropic triangular lattice. We obtain the phase diagram of the model using Schwinger-boson mean-field theory. Competition between Néel, spiral and collinear magnetically ordered phases is found as we vary the on the ratios of the nearest, J1, next-nearest, J2, and third-nearest, J_3, neighbor exchange couplings. A spin liquid phase is stabilized between the spiral and collinear ordered states when J2/J1 < 1.8 for rather small J3/J1 < 0.1. The lowest energy two-spinon dispersions relevant to neutron scattering experiments are analyzed and compared to semiclassical magnon dispersions finding significant differences in the spiral and collinear phases between the two approaches. The results are discussed in the context of the anisotropic triangular materials: Cs2CuCl4 and Cs2CuBr4 and layered organic materials, kappa-(BEDT-TTF)2X and Y[Pd(dmit)2]2.

cond-mat.str-el↗

arXiv2013

Emergent Heavy Fermion Behavior at the Wigner-Mott Transition

We study charge ordering driven by Coulomb interactions on triangular lattices relevant to the Wigner-Mott transition in two dimensions. Dynamical mean-field theory reveals the pinball liquid phase, a charge ordered metallic phase containing quasi-localized (pins) coexisting with itinerant (balls) electrons. Based on an effective periodic Anderson model for this phase, we find an antiferromagnetic Kondo coupling between pins and balls and strong quasiparticle renormalization. Non-Fermi liquid behavior can occur in such charge ordered systems due to spin-flip scattering of itinerant electrons off the pins in analogy with heavy fermion compounds.

cond-mat.str-el↗

arXiv2013

Spin liquid phase due to competing classical orders in the semiclassical theory of the Heisenberg model with ring exchange on an anisotropic triangular lattice

Linear spin wave theory shows that ring exchange induces a quantum disordered region in the phase diagram of the title model. Spin wave spectra show that this is a direct manifestation of competing classical orders. A spin liquid is found in the `Goldilocks zone' of frustration, where the quantum fluctuations are large enough to cause strong competition between different classical orderings but not strong enough to stabilize spiral order. We note that the spin liquid phases of $κ$-(BEDT-TTF)${_2}X$ and $Y$[Pd(dmit)$_2$]$_2$ are found in this Goldilocks zone.

cond-mat.str-el↗

arXiv2012

Effective Hamiltonian for the electronic properties of the quasi-one-dimensional material Li0.9Mo6O17

The title material has a quasi-one-dimensional electronic structure and is of considerable interest because it has a metallic phase with properties different from a simple Fermi liquid, a poorly understood "insulating" phase, and a superconducting phase which may involve spin triplet Cooper pairs. Using the Slater-Koster approach and comparison with published band structure calculations we present the simplest possible tight-binding model for the electronic band structure near the Fermi energy. This describes a set of ladders with weak (and frustrated) inter-ladder hopping. In the corresponding lattice model the system is actually close to one-quarter filling (i.e., one electron per pair of sites) rather than half-filling, as has often been claimed. We consider the simplest possible effective Hamiltonian that may capture the subtle competition between unconventional superconducting, charge ordered, and non-Fermi liquid metal phases. We argue that this is an extended Hubbard model with long-range Coulomb interactions. Estimates of the relevant values of the parameters in the Hamiltonian are given. NMR relaxation rate experiments should be performed to clarify the role of charge fluctuations in Li0.9Mo6O17 associated with the proximity to a Coulomb driven charge ordering transition.

cond-mat.str-el↗

arXiv2010

Quantum critical behavior of electrons at the edge of charge order

We consider quantum critical points (QCP) in which quantum fluctuations associated with charge rather than magnetic order induce unconventional metallic properties. Based on finite-T calculations on a two-dimensional extended Hubbard model we show how the coherence scale T* characteristic of Fermi liquid behavior of the homogeneous metal vanishes at the onset of charge order. A strong effective mass enhancement reminiscent of heavy fermion behavior indicates the possible destruction of quasiparticles at the QCP. Experimental probes on quarter-filled layered organic materials are proposed for unveiling the behavior of electrons across the quantum critical region.

cond-mat.str-el↗

arXiv2010

Determination of screened Coulomb repulsion energies in organic molecular crystals: A real space approach

We present a general method for determining screened Coulomb parameters in molecular assemblies, in particular organic molecular crystals. This allows us to calculate the interaction parameters used in a generalized Hubbard model description of correlated organic materials. In such a model only the electrons in levels close to the Fermi level are included explicitly, while the effect of all other electrons is included as a renormalization of the model parameters. For the Coulomb integrals this renormalization is mainly due to screening. For molecular materials we can split the screening into intra- and inter-molecular screening. Here we demonstrate how the inter-molecular screening can be calculated by modeling the molecules by distributed point-polarizabilities and solving the resulting self-consistent electrostatic screening problem in real space. For the example of the quasi one-dimensional molecular metal TTF-TCNQ we demonstrate that the method gives remarkably accurate results.

cond-mat.str-el↗

arXiv2009

Interplay of frustration, magnetism, charge ordering, and covalency in a model of Na0.5CoO2

We investigate an effective Hamiltonian for Na0.5CoO2 that includes the electrostatic potential due to the ordered Na ions and strong electronic correlations. This model displays a subtle interplay between metallic and insulating phases and between charge and magnetic order. For realistic parameters, the model predicts an insulating phase with similarities to a covalent insulator. We show that this interpretation gives a consistent explanation of experiments on Na0.5CoO2, including the small degree of charge ordering, the small charge gap, the large moment, and the optical conductivity.

cond-mat.str-el↗

arXiv2008

Towards a microscopic description of dimer adsorbates on metallic surfaces

Despite the experimental successes of Scanning Tunneling Microscopy (STM) and the interest in more complex magnetic nanostructures, our present understanding and theoretical description of STM spectra of magnetic adatoms is mainly phenomenological and most often ignores many-body effects. Here, we propose a theory which includes a microscopic description of the wave functions of the substrate and magnetic adatoms together with quantum many-body effects. To test our theory, we have computed the STM spectra of magnetic Cobalt monomers and dimers adsorbed on metallic Copper surfaces and succesfully compared our results to recent available experimental data.

cond-mat.str-el↗

arXiv2007

Non-local correlations in metals close to a charge order insulator transition

The charge ordering transition induced by the nearest-neighbor Coulomb repulsion, V, in the 1/4-filled extended Hubbard model is investigated using Cellular Dynamical Mean-Field Theory. We find a transition to a strongly renormalized charge ordered Fermi liquid at VCO and a metal-to-insulator transition at VMI>VCO. Short range antiferromagnetism occurs concomitanly with the CO transition. Approaching the charge ordered insulator the Fermi surface deforms and the scattering rate of electrons develops momentum dependence on the Fermi surface.

cond-mat.str-el↗

arXiv2006

Coulomb parameters and photoemission for the molecular metal TTF-TCNQ

We employ density-functional theory to calculate realistic parameters for an extended Hubbard model of the molecular metal TTF-TCNQ. Considering both intra- and intermolecular screening in the crystal, we find significant longer-range Coulomb interactions along the molecular stacks, as well as inter-stack coupling. We show that the long-range Coulomb term of the extended Hubbard model leads to a broadening of the spectral density, likely resolving the problems with the interpretation of photoemission experiments using a simple Hubbard model only.

cond-mat.str-el↗

arXiv2006

Charge Fluctuations in Geometrically Frustrated Charge Ordering System

Effects of geometrical frustration in low-dimensional charge ordering systems are theoretically studied, mainly focusing on dynamical properties. We treat extended Hubbard models at quarter-filling, where the frustration arises from competing charge ordered patterns favored by different intersite Coulomb interactions, which are effective models for various charge transfer-type molecular conductors and transition metal oxides. Two different lattice structures are considered: (a) one-dimensional chain with intersite Coulomb interaction of nearest neighbor V_1 and that of next-nearest neighbor V_2, and (b) two-dimensional square lattice with V_1 along the squares and V_2 along one of the diagonals. From previous studies, charge ordered insulating states are known to be unstable in the frustrated region, i.e., V_1 \simeq 2V_2 for case (a) and V_1 \simeq V_2 for case (b), resulting in a robust metallic phase even when the interaction strenghs are strong. By applying the Lanczos exact diagonalization to finite-size clusters, we have found that fluctuations of different charge order patterns exist in the frustration-induced metallic phase, showing up as characteristic low energy modes in dynamical correlation functions. Comparison of such features between the two models are discussed, whose difference will be ascribed to the dimensionality effect. We also point out incommensurate correlation in the charge sector due to the frustration, found in one-dimensional clusters.

cond-mat.str-el↗

arXiv2006

Theoretical Aspects of Charge Ordering in Molecular Conductors

Theoretical studies on charge ordering phenomena in quarter-filled molecular (organic) conductors are reviewed. Extended Hubbard models including not only the on-site but also the inter-site Coulomb repulsion are constructed in a straightforward way from the crystal structures, which serve for individual study on each material as well as for their systematic understandings. In general the inter-site Coulomb interaction stabilizes Wigner crystal-type charge ordered states, where the charge localizes in an arranged manner avoiding each other, and can drive the system insulating. The variety in the lattice structures, represented by anisotropic networks in not only the electron hopping but also in the inter-site Coulomb repulsion, brings about diverse problems in low-dimensional strongly correlated systems. Competitions and/or co-existences between the charge ordered state and other states are discussed, such as metal, superconductor, and the dimer-type Mott insulating state which is another typical insulating state in molecular conductors. Interplay with magnetism, e.g., antiferromagnetic state and spin gapped state for example due to the spin-Peierls transition, is considered as well. Distinct situations are pointed out: influences of the coupling to the lattice degree of freedom and effects of geometrical frustration which exists in many molecular crystals. Some related topics, such as charge order in transition metal oxides and its role in new molecular conductors, are briefly remarked.

cond-mat.str-el↗

arXiv2004

Quantum Melting of Charge Order due to Frustration in Two-Dimensional Quarter-Filled Systems

The effect of geometrical frustration in a two-dimensional 1/4-filled strongly correlated electron system is studied theoretically, motivated by layered organic molecular crystals. An extended Hubbard model on the square lattice is considered, with competing nearest neighbor Coulomb interaction, V, and that of next-nearest neighbor along one of the diagonals, V', which favor different charge ordered states. Based on exact diagonalization calculations, we find a metallic phase stabilized over a broad window at V' ~ V even for large Coulomb repulsion strengths as a result of frustrating the charge ordered states. Slightly modifying the lattice geometry relevant to the actual organic compounds does not alter the results, suggesting that this `quantum melting' of charge order is a robust feature of frustrated strongly correlated 1/4-filled systems.

cond-mat.str-el↗

arXiv2004

Spin exchange and superconductivity in a $t-J'-V$ model for two-dimensional quarter-filled systems

The effect of antiferromagnetic spin fluctuations on two-dimensional quarter-filled systems is studied theoretically. An effective $t-J'-V$ model on a square lattice which accounts for checkerboard charge fluctuations and next-nearest-neighbors antiferromagnetic spin fluctuations is considered. From calculations based on large-N theory on this model it is found that the exchange interaction, $J'$, increases the attraction between electrons in the d$_{xy}$ channel only, so that both charge and spin fluctuations work cooperatively to produce d$_{xy}$ pairing.

cond-mat.str-el↗

arXiv2001

Superconductivity mediated by charge fluctuations in layered molecular crystals

In elemental metals the pairing of electrons leading to superconductivity is mediated by the vibrations of the crystal lattice and the pairs have spherical symmetry. For layered organic molecular crystals there is no consensus about the pairing symmetry or the mechanism of the superconductivity. We show theoretically that the mechanism of superconductivity for members of the (BEDT-TTF)2X family with the theta and beta'' crystal structures is mediated by charge fluctuations and the superconducting order parameter has dxy symmetry. This is in contrast to the kappa-(BEDT-TTF)2X family, for which theoretical calculations give superconductivity mediated by spin fluctuations and with dx2-y2 symmetry. Our conclusions are based on systematic many-body calculations using slave-boson theory of an extended Hubbard model. This is the simplest model that can describe the competition between metallic, superconducting, insulating, and charge ordered phases that occurs in the theta and beta'' materials. Based on the theory presented we predict several materials that should become superconducting under pressure.

cond-mat.supr-con↗

arXiv1999

Transport properties of strongly correlated metals:a dynamical mean-field approach

The temperature dependence of the transport properties of the metallic phase of a frustrated Hubbard model on the hypercubic lattice at half-filling are calculated. Dynamical mean-field theory, which maps the Hubbard model onto a single impurity Anderson model that is solved self-consistently, and becomes exact in the limit of large dimensionality, is used. As the temperature increases there is a smooth crossover from coherent Fermi liquid excitations at low temperatures to incoherent excitations at high temperatures. This crossover leads to a non-monotonic temperature dependence for the resistance, thermopower, and Hall coefficient, unlike in conventional metals. The resistance smoothly increases from a quadratic temperature dependence at low temperatures to large values which can exceed the Mott-Ioffe-Regel value, hbar a/e^2 (where "a" is a lattice constant) associated with mean-free paths less than a lattice constant. Further signatures of the thermal destruction of quasiparticle excitations are a peak in the thermopower and the absence of a Drude peak in the optical conductivity. The results presented here are relevant to a wide range of strongly correlated metals, including transition metal oxides, strontium ruthenates, and organic metals.

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