Dynamical properties of a strongly correlated model for quarter-filled layered organic molecular crystals

The dynamical properties of an extended Hubbard model, which is relevant to quarter-filled layered organic molecular crystals, are analyzed. We have computed the dynamical charge correlation function, spectral density, and optical conductivity using Lanczos diagonalization and large-N techniques. As the ratio of the nearest-neighbour Coulomb repulsion, V, to the hopping integral, t, increases there is a transition from a metallic phase to a charge ordered phase. Dynamical properties close to the ordering transition are found to differ from the ones expected in a conventional metal. Large-N calculations display an enhancement of spectral weight at low frequencies as the system is driven closer to the charge ordering transition in agreement with Lanczos calculations. As V is increased the charge correlation function displays a plasmon-like mode which, for wavevectors close to (pi,pi), increases in amplitude and softens as the charge ordering transition is approached. We propose that inelastic X-ray scattering be used to detect this mode. Large-N calculations predict superconductivity with dxy symmetry close to the ordering transition. We find that this is consistent with Lanczos diagonalization calculations, on lattices of 20 sites, which find that the binding energy of two holes becomes negative close to the charge ordering transition.Comment: 22 pages, 16 eps figures; caption of Fig. 5 correcte

Influence of Zn excess on compositional, structural and vibrational properties of Cu2ZnSn0.5Ge0.5Se4 thin films and their effect on solar cell efficiency

This Accepted Manuscript will be available for reuse under a CC BY-NC-ND licence after 24 months of embargo periodThe effect of Zn content on compositional, structural and vibrational properties of Cu2ZnSn1-xGexSe4 (CZTGSe, x ~ 0.5) thin films is studied. Kesterite layer is deposited by co-evaporation onto 5 × 5 cm2 Mo/SLG substrate followed by a thermal treatment at maximum temperature of 480 °C, obtaining areas with different composition and morphology which are due to the sample position in the co-evaporation system and to the non-uniform temperature distribution across the substrate. Kesterite layers with higher Zn amounts are characterized by lower Cu and Ge contents; however, a uniform Ge distribution through the absorber layer is detected in all cases. The excess Zn concentration leads to the formation of ZnSe secondary phase on the surface and in the bulk of the absorber as determined by Raman spectroscopy. When higher Ge content and no ZnSe are present in the absorber layer, a compact structure is formed with larger grain size of kesterite. This effect could explain the higher Voc of the solar cell. The Zn content does not affect the bandgap energy significantly (Eg near 1.3 eV), although the observed effect of Zn excess in CZTGSe results in a decreased device performance from 6.4 to 4.2%. This investigation reveals the importance of the control of the off-stoichiometric CZTGSe composition during the deposition process to enhance solar cells propertiesThis work was supported by Spanish Ministry of Science, Innovation and Universities Project WINCOST (ENE2016-80788-C5-2-R) and European Project INFINITE CELL (H2020-MSCA-RISE-2017-777968). ARP also acknowledges financial support from Community of Madrid within Youth Employment Program (PEJD-2017-PRE/IND-4062). MG acknowledges the financial support from ACCIÓ-Generalitat de Catalunya within the TECNIOspring Plus fellowship (TECSPR18-1-0048

Three dimensional fluid-kinetic model of a magnetically guided plasma jet

A fluid-kinetic model of the collisionless plasma row in a convergent-divergent magnetic nozzle is presented. The model combines the leading-order Vlasov equation and the fluid continuity and perpendicular momentum equation for magnetized electrons, and the fluid equations for cold ions, which must be solved iteratively to determine the self-consistent plasma response in a three-dimensional magnetic field. The kinetic electron solution identifies three electron populations and provides the plasma density and pressure tensor. The far downstream asymptotic behavior shows the anisotropic cooling of the electron populations. The fluid equations determine the electric potential and the fluid velocities. In the small ion-sound gyroradius case the solution is constructed one magnetic line at a time. In the large ion-sound gyroradius case, ion detachment from magnetic lines makes the problem fully three-dimensional.This work was supported by National R&D Plan (Grant ESP2016-75887) from the Gobierno de España. Jesús Ramos thanks the financial sponsorship of the Chair of Excellence award granted by UC3M and Banco de Santander

Electronic and magnetic properties of the ionic Hubbard model on the striped triangular lattice at 3/4 filling

We report a detailed study of a model Hamiltonian which exhibits a rich interplay of geometrical spin frustration, strong electronic correlations, and charge ordering. The character of the insulating phase depends on the magnitude of Delta/|t| and on the sign of t. We find a Mott insulator for Delta >> U >> |t|; a charge transfer insulator for U >> \Delta >> |t|; and a correlated covalent insulator for U >> \Delta ~ |t|. The charge transfer insulating state is investigated using a strong coupling expansion. The frustration of the triangular lattice can lead to antiferromagnetism or ferromagnetism depending on the sign of the hopping matrix element, t. We identify the "ring" exchange process around a triangular plaquette which determines the sign of the magnetic interactions. Exact diagonalization calculations are performed on the model for a wide range of parameters and compared to the strong coupling expansion. The regime U >> \Delta ~ |t| and t<0 is relevant to Na05CoO2. The calculated optical conductivity and the spectral density are discussed in the light of recent experiments on Na05CoO2.Comment: 15 pages, 15 figure

Novel Charge Order and Superconductivity in Two-Dimensional Frustrated Lattice at Quarter Filling

Motivated by the various physical properties observed in $\theta$-(BEDT-TTF)$_2$X, we study the ground state of extended Hubbard model on two-dimensional anisotropic triangular lattice at 1/4-filling with variational Monte Carlo method. It is shown that the nearest-neighbor Coulomb interaction enhances the charge fluctuation and it induces the anomalous state such as charge-ordered metallic state and the triplet next-nearest-neighbor $f$-wave superconductivity. We discuss the relation to the real materials and propose the unified view of the family of $\theta$-(BEDT-TTF)$_2$X.Comment: 4 pages, 5 figure