Related papers: Charge-Transfer Excitations in One-Dimensional Dim…
We use quantum Monte Carlo and exact diagonalization calculations to study the Mott-insulator to superconductor quantum phase transition in a two-dimensional fermionic Hubbard model with attractive interactions in the presence of a…
Charge transfer multiplet (CTM) theory is a computationally undemanding and highly mature method for simulating the soft X-ray spectra of first-row transition metal complexes. However, CTM theory has seldom been applied to the simulation of…
We develop a theory of the electronic structure and photophysics of interacting chains of \pi- conjugated polymers to understand the differences between solutions and films. While photoexcitation generates only the intrachain exciton in…
The Mott insulator \kappa-(BEDT-TTF)2Cu[N(CN)2]Cl consists of molecular dimers arranged on an anisotropic triangular lattice and develops a canted antiferromagnetic ground state. It has recently been suggested that this system features…
We compute the time-resolved photoemission spectrum after photo-doping in a two-dimensional Mott-Hubbard insulator. We find that the relaxation rate of high-energy photo-doped electrons in the paramagnetic phase scales with the strength of…
We calculate the low temperature spectral function of one-dimensional incommensurate charge density wave (CDW) states and half-filled Mott insulators (MI). At $T=0$ there are two dispersing features associated with the spin and charge…
We study numerically how conservation laws affect the optical conductivity sigma(w) of a slightly doped one-dimensional Mott insulator. We investigate a regime where the average distance between charge excitations is large compared to their…
While cadmium telluride (CdTe) thin films are being used in solar cell prototyping for decades, the recent advent of two-dimensional (2D) materials challenges the fundamental limit for thickness of conventional CdTe layers. Here, we report…
The Mott insulating phase of a one-dimensional bosonic gas trapped in optical lattices is described by a Bose-Hubbard model. A continuous unitary transformation is used to map this model onto an effective model conserving the number of…
A two-state model Hamiltonian is proposed to model the coupling of twisting displacements to charge-transfer behavior in the ground and excited states of a general monomethine dye molecule. This coupling may be relevant to the molecular…
Electron-phonon-driven charge density waves can in some circumstances allow electronic correlations to become predominant, driving a system into a Mott insulating state. New insights into both the Mott state and preceding charge density…
Exact diagonalisations of the extended Hubbard model are performed. In the insulating regime it is shown that the nearest neighbour copper-oxygen repulsion, $V$, leads to Frenkel excitons in the charge transfer gap at values of $V$ of the…
We investigated the electronic states of the quasi-one-dimensional organic conductors $\delta'_{P}$-(BPDT-TTF)$_2$ICl$_2$ and $\delta'_{C}$-(BPDT-TTF)$_2$ICl$_2$, both of which are insulating at room temperature owing to strong electron…
In this study, we investigate the metal-insulator transition of charge transfer type in high-temperature cuprates. We first show that we must introduce a new band parameter in the three-band d-p model to reproduce the Fermi surface of high…
Photodoped states are widely observed in laser-excited Mott insulators, in which charge excitations are quickly created and can exist beyond the duration of the external driving. Despite the fruitful experimental explorations, theoretical…
Metal-insulator transitions (MIT) occurring in non-adiabatic conditions can evolve through high-energy intermediate states that are difficult to observe and control via static methods. By monitoring the out-of-equilibrium structural…
Photo-doped states in strongly correlated charge transfer insulators are characterized by $d$-$d$ and $d$-$p$ interactions and the resulting intertwined dynamics of charge excitations and local multiplets. Here we use femtosecond x-ray…
The recent advances in angle resolved photoemission techniques allowed the unambiguous experimental confirmation of spin charge decoupling in quasi one dimensional (1D) Mott insulators. This opportunity stimulates a quantitative analysis of…
The low--energy excited states of a system of interacting one--dimensional fermions in a conducting state are collective charge and spin density oscillations. The unusual physical properties of such a system (called ``Luttinger liquid'')…
We present a new method, ePT, for extrapolating few known coefficients of a perturbative expansion. Controlled by comparisons with numerically exact quantum Monte Carlo (QMC) results, 10th order strong-coupling perturbation theory (PT) for…