Related papers: Charge orders in organic charge-transfer salts
We theoretically study the competition among different electronic phases in molecular conductors $\kappa$-(BEDT-TTF)$_2$X. The ground-state properties of a 3/4-filled extended Hubbard model with the $\kappa$-type geometry are investigated…
Ground state of the periodic Anderson model on a cubic lattice is investigated by mean-field calculations, with focusing on the possibility of charge ordering. We show that three different charge-ordered phases appear at 3/2 filling, which…
Charge-order-driven ferroelectrics are an emerging class of functional materials, distinct from conventional ferroelectrics, where electron-dominated switching can occur at high frequency. Despite their promise, only a few systems…
The structure and properties of the 1:1 superlattice of LaVO$_{3}$ and SrVO$_{3}$ are investigated with a first-principles density-functional-theory-plus-$U$ (DFT+$U$) method. The lowest energy states are antiferromagnetic charge-ordered…
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…
We study the extended Hubbard model on a two-dimensional half-filled square lattice using the dynamical cluster approximation. We present results on the phase boundaries between the paramagnetic metallic (normal) state and the insulating…
The effects of electron correlation in the quasi-two-dimensional organic conductor \alpha-(BEDT-TTF)2I3 are investigated theoretically by using an extended Hubbard model with on-site and nearest-neighbor Coulomb interactions. A variational…
We show that in manganites close to half-doping novel non-bipartite magnetic phases appear due to the interplay between double exchange, superexchange and orbital ordering. In considerable part of the phase diagram the groundstate has a…
A $^{13}$C NMR study of the normal and superconducting states of the all-organic charge-transfer salt $\beta"$-(BEDT-TTF)$_2$SF$_5$CH$_2$CF$_2$SO$_3$ is presented. We find that the normal state is a charge-ordered metal configured as…
Using density functional theory, we determine parameters of tight-binding Hamiltonians for a variety of Fabre charge transfer salts, focusing in particular on the effects of temperature and pressure. Besides relying on previously published…
The organic conductor $\alpha$-(BEDT-TTF)$_2$I$_3$ provides the prime example of a charge-order-driven metal-insulator transition. Restricted chemical substitution of S atoms by Se in the constituent molecules allows us to modify the…
Triangular-lattice systems attract a lot of attention due to various frustration-induced and strongly correlated effects. Here, we focus on the charge-ordering phenomenon by means of investigation of the extended Hubbard model with…
Charge ordering with structural distortion in quasi-two-dimensional organic conductors \theta-(ET)2RbZn(SCN)4 (ET=BEDT-TTF) and \alpha-(ET)2I3 is investigated theoretically. By using the Hartree-Fock approximation for an extended Hubbard…
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…
Combined effects of electron correlations and lattice distortions are investigated on the charge ordering in \theta-(BEDT-TTF)2RbZn(SCN)4 theoretically in a two-dimensional 3/4-filled extended Hubbard model with electron-lattice couplings.…
While the optical properties of the superconducting salt $\alpha$-(BEDT-TTF)$_2$NH$_4$Hg(SCN)$_4$ remain metallic down to 2 K, in the non-superconducting K-analog a pseudogap develops at frequencies of about 200 cm$^{-1}$ for temperatures T…
The quasi-one-dimensional organic conductors (TMTTF)$_2X$ with non-centrosymmetric anions commonly undergo charge- and anion-order transitions upon cooling. While for compounds with tetrahedral anions ($X$ = BF$_4^-$, ReO$_4^-$, and…
Using one- and two-dimensional NMR spectroscopy applied to $^{13}$C spin-labeled (TMTTF)$_2$AsF$_6$ and (TMTTF)$_2$PF$_6$, we demonstrate the existence of an intermediate charge-ordered phase in the TMTTF family of charge-transfer salts. At…
The possibility of charge order is theoretically examined for the Kondo lattice model in two dimensions, which does not include bare repulsive interactions. Using two complementary numerical methods, we find that charge order appears at…
In the work, we investigated a generalized model of the fermionic lattice gas in the form of the extended Hubbard model with intersite Ising-like interactions (both antiferromagnetic and ferromagnetic) at the atomic limit on the triangular…