κ−(BEDT−TTF)2X\kappa-(BEDT-TTF)_2X organic crystals: superconducting versus antiferromagnetic instabilities in an anisotropic triangular lattice Hubbard model

A Hubbard model at half-filling on an anisotropic triangular lattice has been proposed as the minimal model to describe conducting layers of $\kappa-(BEDT-TTF)_2X$ organic materials. The model interpolates between the square lattice and decoupled chains. The $\kappa-(BEDT-TTF)_2X$ materials present many similarities with cuprates, such as the presence of unconventional metallic properties and the close proximity of superconducting and antiferromagnetic phases. As in the cuprates, spin fluctuations are expected to play a crucial role in the onset of superconductivity. We perform a weak-coupling renormalization-group analysis to show that a superconducting instability occurs. Frustration in the antiferromagnetic couplings, which arises from the underlying geometrical arrangement of the lattice, breaks the perfect nesting of the square lattice at half-filling. The spin-wave instability is suppressed and a superconducting instability predominates. For the isotropic triangular lattice, there are again signs of long-range magnetic order, in agreement with studies at strong-coupling.Comment: 4 pages, 5 eps figs, to appear in Can. J. Phys. (proceedings of the Highly Frustrated Magnetism (HFM-2000) conference, Waterloo, Canada, June 2000

Phonon anomalies due to strong electronic correlations in layered organic metals

We show how the coupling between the phonons and electrons in a strongly correlated metal can result in phonon frequencies which have a non-monotonic temperature dependence. Dynamical mean-field theory is used to study the Hubbard-Holstein model that describes the \kappa-(BEDT-TTF)_2 X family of superconducting molecular crystals. The crossover with increasing temperature from a Fermi liquid to a bad metal produces phonon anomalies that are consistent with recent Raman scattering and acoustic experiments.Comment: 6 pages, 3 eps figure

Transport criticality of the first-order Mott transition in a quasi-two-dimensional organic conductor, κ\kappa-(BEDT-TTF)2_{2}Cu[N(CN)2_{2}]Cl

An organic Mott insulator, $\kappa$-(BEDT-TTF)$_{2}$Cu[N(CN)$_{2}$]Cl, was investigated by resistance measurements under continuously controllable He gas pressure. The first-order Mott transition was demonstrated by observation of clear jump in the resistance variation against pressure. Its critical endpoint at 38 K is featured by vanishing of the resistive jump and critical divergence in pressure derivative of resistance, $|\frac{1}{R}\frac{\partial R}{\partial P}|$, which are consistent with the prediction of the dynamical mean field theory and have phenomenological correspondence with the liquid-gas transition. The present results provide the experimental basis for physics of the Mott transition criticality.Comment: 4 pages, 5 figure

Metal-insulator transition and charge ordering in the extended Hubbard model at one-quarter filling

We study with exact diagonalization the zero temperature properties of the quarter-filled extended Hubbard model on a square lattice. We find that increasing the ratio of the intersite Coulomb repulsion, $V$, to the band width drives the system from a metal to a charge ordered insulator. The evolution of the optical conductivity spectrum with increasing $V$ is compared to the observed optical conductivity of several layered molecular crystals with the theta and beta'' crystal structures.Comment: 5 pages, 3 figure

Magnetic-field-induced superconductivity in layered organic molecular crystals with localized magnetic moments

The synthetic organic compound lambda-(BETS)2FeCl4 undergoes successive transitions from an antiferromagnetic insulator to a metal and then to a superconductor as a magnetic field is increased. We use a Hubbard-Kondo model to clarify the role of the Fe(3+) magnetic ions in these phase transitions. In the high-field regime, the magnetic field acting on the electron spins is compensated by the exchange field He due to the magnetic ions. This suggests that the field-induced superconducting state is the same as the zero-field superconducting state which occurs under pressure or when the Fe(3+) ions are replaced by non-magnetic Ga(3+) ions. We show how He can be extracted from the observed splitting of the Shubnikov-de Haas frequencies. Furthermore, we use this method of extracting He to predict the field range for field-induced superconductivity in other materials.Comment: 5 page

Antiferromagnetic Heisenberg model on anisotropic triangular lattice in the presence of magnetic field

We use Schwinger boson mean field theory to study the antiferromagnetic spin-1/2 Heisenberg model on an anisotropic triangular lattice in the presence of a uniform external magnetic field. We calculate the field dependence of the spin incommensurability in the ordered spin spiral phase, and compare the results to the recent experiments in Cs$_{2}$CuCl$_{4}$ by Coldea et al. (Phys. Rev. Lett. 86, 1335 (2001)).Comment: 4 pages with 4 figures include

Cyclotron effective masses in layered metals

Many layered metals such as quasi-two-dimensional organic molecular crystals show properties consistent with a Fermi liquid description at low temperatures. The effective masses extracted from the temperature dependence of the magnetic oscillations observed in these materials are in the range, m^*_c/m_e \sim 1-7, suggesting that these systems are strongly correlated. However, the ratio m^*_c/m_e contains both the renormalization due to the electron-electron interaction and the periodic potential of the lattice. We show that for any quasi-two-dimensional band structure, the cyclotron mass is proportional to the density of states at the Fermi energy. Due to Luttinger's theorem, this result is also valid in the presence of interactions. We then evaluate m_c for several model band structures for the \beta, \kappa, and \theta families of (BEDT-TTF)_2X, where BEDT-TTF is bis-(ethylenedithia-tetrathiafulvalene) and X is an anion. We find that for \kappa-(BEDT-TTF)_2X, the cyclotron mass of the \beta-orbit, m^{*\beta}_c, is close to 2 m^{*\alpha}_c, where m^{*\alpha}_c is the effective mass of the \alpha- orbit. This result is fairly insensitive to the band structure details. For a wide range of materials we compare values of the cyclotron mass deduced from band structure calculations to values deduced from measurements of magnetic oscillations and the specific heat coefficient.Comment: 12 pages, 3 eps figure

Symmetrized mean-field description of magnetic instabilities in k-(BEDT-TTF)_2Cu[N(CN)]_2 Y salts

We present a novel and convenient mean-field method, and apply it to study the metallic/antiferromagnetic interface of k-(BEDT-TTF)_2Cu[N(CN)]_2 Y organic superconductors (BEDT_TTF is bis-ethylen-dithio-tetrathiafulvalene, Y=Cl, Br). The method, which fully exploits the crystal symmetry, allows one to obtain the mean-field solution of the 2D Hubbard model for very large lattices, up to 6x10^5 sites, yielding a reliable description of the phase boundary in a wide region of the parameter space. The metal/antiferromagnet transtion appears to be second order, except for a narrow region of the parameter space, where the transition is very sharp and possibly first order. The cohexistence of metallic and antiferromagnetic properties is only observed for the transient state in the case of smooth second order transitions. The relevance of the present resaults to the complex experimental behavior of centrosymmetric k-phase BEDT-TTF salts is discussed.Comment: 9 pages in PS format, 7 figures (included in PS), 1 tabl

Phase diagram for a class of spin-half Heisenberg models interpolating between the square-lattice, the triangular-lattice and the linear chain limits

We study the spin-half Heisenberg models on an anisotropic two-dimensional lattice which interpolates between the square-lattice at one end, a set of decoupled spin-chains on the other end, and the triangular-lattice Heisenberg model in between. By series expansions around two different dimer ground states and around various commensurate and incommensurate magnetically ordered states, we establish the phase diagram for this model of a frustrated antiferromagnet. We find a particularly rich phase diagram due to the interplay of magnetic frustration, quantum fluctuations and varying dimensionality. There is a large region of the usual 2-sublattice Ne\'el phase, a 3-sublattice phase for the triangular-lattice model, a region of incommensurate magnetic order around the triangular-lattice model, and regions in parameter space where there is no magnetic order. We find that the incommensurate ordering wavevector is in general altered from its classical value by quantum fluctuations. The regime of weakly coupled chains is particularly interesting and appears to be nearly critical.Comment: RevTeX, 15 figure

Charge ordering and antiferromagnetic exchange in layered molecular crystals of the theta type

We consider the electronic properties of layered molecular crystals of the type theta-D$_2$A, where A is an anion and D is a donor molecule such as BEDT-TTF [where BEDT-TTF is bis-(ethylenedithia-tetrathiafulvalene)] which is arranged in the theta type pattern within the layers. We argue that the simplest strongly correlated electron model that can describe the rich phase diagram of these materials is the extended Hubbard model on the square lattice at a quarter filling. In the limit where the Coulomb repulsion on a single site is large, the nearest-neighbour Coulomb repulsion, V, plays a crucial role. When V is much larger than the intermolecular hopping integral t the ground state is an insulator with charge ordering. In this phase antiferromagnetism arises due to a novel fourth-order superexchange process around a plaquette on the square lattice. We argue that the charge ordered phase is destroyed below a critical non-zero value V, of the order of t. Slave boson theory is used to explicitly demonstrate this for the SU(N) generalisation of the model, in the large N limit. We also discuss the relevance of the model to the all-organic family beta''-(BEDT-TTF)$_2$SF$_5$YSO$_3$ where Y = CH$_2$CF$_2$, CH$_2$, CHF.Comment: 15 pages, 6 eps figure