Related papers: Electronic State of Na_xCoO_2 Based on the Two Dim…

Using \emph{ab initio} band structure and DFT+dynamical mean-field theory methods we examine the effects of electron-electron interactions on the normal state electronic structure, Fermi surface, and magnetic correlations of the recently…

Motivated by the recent finding of superconductivity in layered CoO_2 compounds, we investigate superconducting and magnetic instabilities of interacting electrons on the two-dimensional triangular lattice. Using a one-loop renormalization…

The charge ordering transition in the layer compound NaV2O5 is studied by means of exact diagonalization methods for finite systems. The 2-leg ladders of the V-Trellis lattice are associated with one spin variable of the vanadium…

First principles constrained density functional theory scheme in Wannier functions formalism has been used to calculate Coulomb repulsion U and Hund's exchange J parameters for iron 3d electrons in LaFeAsO. Results strongly depend on the…

We investigate the two-orbital periodic Anderson model, where the local orbital fluctuations of f-electrons couple with a two-fold degenerate Jahn-Teller phonon, by using the dynamical mean-field theory. It is found that the heavy fermion…

We uncover four new spin-charge ordered ground states in the strong coupling limit of the Kondo lattice model on triangular geometry. Two of the states at one-third electronic filling ($n=1/3$) consist of decorated ferromagnetic chains…

It is investigated, on the basis of the fluctuation exchange approximation, how the shape of the Fermi surface is modified in two-dimensional $t-t'-U$ Hubbard model at half filling as strength of the onsite Coulomb interaction $U$ is…

KCoO2 has been found in 1975 to exist in a unique structure with P4/nmm spacegroup with Co in a square pyramidal coordination with the Co atoms in the plane linked by O in a square arrangement reminiscent of the cuprates but its electronic…

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…

It was recently discovered that a conductive, metallic state is formed on the surface of some insulating oxides. Firstly observed on SrTiO$_3$(001), it was then found in other compounds as diverse as anatase TiO$_2$, KTaO$_3$, BaTiO$_3$,…

We used ab-initio quantum chemical methods, treating explicitly the strong correlation effects within the cobalt 3d shell, as well as the screening effects on the effective integrals, for accurately determining on-site and nearest-neighbor…

Using muon spin spectroscopy we have found that, for both Na$_x$CoO$_2$ (0.6 $\leq x \leq$ 0.9) and 3- and 4-layer cobaltites, a common low temperature magnetic state (which in some cases is manifest as an incommensurate spin density wave)…

We investigate the magnetic order and related strongly-correlated effects in an one-dimensional Ising-Kondo lattice with transverse field. This model is the anisotropic limit of the conventional isotropic Kondo lattice model, in the sense…

Using density functional theory calculations including an on-site Coulomb term, we explore electronic and possibly topologically nontrivial phases in $3d$ transition metal oxide honeycomb layers confined in the corundum structure…

We show that geometric frustration and strong correlation in the triangular lattice Hubbard model lead a rich and novel phase structure of $\sqrt{3}\times\sqrt{3}$ spin-charge textured electronic states over a wide region of electron doping…

We investigate a microscopic model for strongly correlated electrons with both on-site and nearest neighbor Coulomb repulsion on a 2D square lattice. This exhibits a state in which electrons undergo a ``somersault'' in their internal…

Engineered $Na_{0.75}CoO_2$ is considered a prime candidate to achieve high-efficiency thermoelectric systems to regenerate electricity from waste heat. In this work, three elements with outmost electronic configurations, (1) an open d…

Electronic properties of quasi-two-dimensional molecular conductors $X$[Pd(dmit)$_2$]$_2$ are studied theoretically. We construct an effective model based on the fragment molecular orbital scheme developed recently, which can describe the…

Density functional theory was used to study the nonmagnetic (NM) and ferromagnetic (FM) phases of face-centered cubic cerium. Functionals of four levels of approximations for the exchange-correlation energy were used: LDA, PBE, LDA/PBE+$U$,…

From a combination of high resolution angle-resolved photoemission spectroscopy and density functional calculations, we show that BaFe2As2 possesses essentially two-dimensional electronic states, with a strong change of orbital character of…