Interplay of frustration, magnetism, charge ordering, and covalency in a model of Na0.5CoO2 (2008)
Merino, Jaime, Powell, B. J., McKenzie, Ross H.
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...
Towards a microscopic description of dimer adsorbates on metallic surfaces (2008)
Merino, Jaime, Borda, Laszlo, Simon, Pascal
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...
Non-local correlations in metals close to a charge order insulator transition (2007)
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...
Cano-Cortés, Laura, Dolfen, Andreas, Merino, Jaime, Behler, Jörg, Delley, Bernard, Reuter, Karsten, ...
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...
Coulomb parameters and photoemission for the molecular metal TTF-TCNQ (2006)
Cano-Cortés, Laura, Dolfen, Andreas, Merino, Jaime, Behler, Jörg, Delley, Bernard, Reuter, Karsten, ...
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...
Charge Fluctuations in Geometrically Frustrated Charge Ordering System (2006)
Seo, Hitoshi, Tsutui, Kenji, Ogata, Masao, Merino, Jaime
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,...
Theoretical Aspects of Charge Ordering in Molecular Conductors (2006)
Seo, Hitoshi, Merino, Jaime, Yoshioka, Hideo, Ogata, Masao
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...
Greco, Andres, Merino, Jaime, Foussats, Adriana, McKenzie, Ross H.
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...
Quantum Melting of Charge Order due to Frustration in Two-Dimensional Quarter-Filled Systems (2004)
Merino, Jaime, Seo, Hitoshi, Ogata, Masao
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...
Superconductivity mediated by charge fluctuations in layered molecular crystals (2001)
Merino, Jaime, McKenzie, Ross H.
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...
Transport properties of strongly correlated metals:a dynamical mean-field approach (1999)
Merino, Jaime, McKenzie, Ross H.
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...