Related papers: Direct evidence of overdamped Peierls-coupled mode…
The neutral-to-ionic phase transition in the mixed-stack charge-transfer complex tetrathiafulvalene-p-chloranil (TTF-CA) has been studied by pressure-dependent infrared spectroscopy up to p=11 kbar and down to low temperatures, T = 10 K. By…
The first-order transition of the charge-transfer complex TTF-CA (tetrathiafulvalene-chloranil) is both a neutral-ionic and a Peierls transition. In related organic charge transfer complexes, cooling at ambient pressure increases the…
For electronic states and photoinduced charge dynamics near the neutral-ionic transition in the mixed-stack charge-transfer complex tetrathiafulvalene-$p$-chloranil (TTF-CA), we review the effects of Peierls coupling to lattice phonons…
We investigate the microscopic dynamics at the initial stage of photoinduced phase transitions in tetrathiafulvalene-$p$-chloranil by exact diagonalization. We first show that the one-dimensional extended Peierls-Hubbard model exhibits a…
We report a detailed spectroscopic investigation of temperature-induced valence and structural instability of the mixed-stack organic charge-transfer (CT) crystal 4,4'-dimethyltetrathiafulvalene-chloranil (DMTTF-CA). DMTTF-CA is a…
We present exact diagonalization results on a modified Peierls-Hubbard model for the neutral-ionic phase transition. The ground state potential energy surface and the infrared intensity of the Peierls mode point to a strong, non-linear…
Photoinduced dynamics of charge density and lattice displacements is calculated by solving the time-dependent Schr\"odinger equation for a one-dimensional extended Peierls-Hubbard model with alternating potentials for the mixed-stack…
The prototype compound for the neutral-ionic phase transition, namely TTF-CA, is theoretically investigated by first-principles density functional theory calculations. The study is based on three neutron diffraction structures collected at…
The dipole P(F) of systems with periodic boundary conditions (PBC) in a static electric field F is applied to one-dimensional Peierls-Hubbard models for organic charge-transfer (CT) salts. Exact results for P(F) are obtained for finite…
We report a detailed spectroscopic study of the pressure induced neutral-ionic phase transition (NIT) of the mixed-stack charge-transfer (CT) crystal tetrathiafulvalene-chloranil (TTF-CA). We show that the pressure induced phase transition…
The influence of the combined effects of substrate-induced strain, finite size and electron irradiation-induced defects have been studied on individual micron-sized domains of the organic charge transfer compound…
We consider the Peierls instability due to the interaction of electrons with both acoustic and optical phonons. We suggest that such a transition takes place in carbon nanotubes with small radius. The topological excitations and the…
Dynamics of ionic-to-neutral and neutral-to-ionic phase transitions induced by intrachain charge-transfer photoexcitations are studied in a quasi-one-dimensional extended Hubbard model with alternating potentials and an electron-lattice…
The Temperature Induced Neutral to Ionic phase Transition (TI-NIT) is a rare phenomenon occurring in mixed stack charge transfer (CT) crystals made up of alternating $\pi$-electron Donor (D) and Acceptor (A) molecules. We were able to grow…
We have studied the S=1/2 quasi-one-dimensional antiferromagnet TiOCl using single crystal x-ray diffraction and inelastic x-ray scattering techniques. The Ti ions form staggered spin chains which dimerize below Tc1 = 66 K and have an…
Dynamics of charge density and lattice displacements after the neutral phase is photoexcited is studied by solving the time-dependent Schr\"odinger equation for a one-dimensional extended Peierls-Hubbard model with alternating potentials.…
We report quantum Monte Carlo (stochastic series expansion) results for the transition from a Mott insulator to a dimerized Peierls insulating state in a half-filled, 1D extended Hubbard model coupled to optical bond phonons. Using…
Real-time dynamics of charge density and lattice displacements is studied during photoinduced ionic-to-neutral phase transitions by using a one-dimensional extended Peierls-Hubbard model with alternating potentials for the one-dimensional…
Results of a phenomenological Monte carlo calculation for a 2D electron-phonon Holstein model near a Peierls-CDW transition are presented. Here the zero Matsubara frequency part of the phonon action is dominant and we approximated it by a…
The quantum phase transition between a repulsive Luttinger liquid and an insulating Peierls state is studied in the framework of the one-dimensional spinless Holstein model. We focus on the adiabatic regime but include the full quantum…