Related papers: Electronic Ferroelectricity in a Dimer Mott Insula…
Motivated by recent experimental suggestions of charge-order-driven ferroelectricity in organic charge-transfer salts, such as $\kappa$-(BEDT-TTF)$_2$Cu[N(CN)$_2$]Cl, we investigate magnetic and charge-ordered phases that emerge in an…
Ab initio investigations of structural, electronic, and dynamical properties of the high-temperature $\beta$ phase of copper pyrophosphate were performed using density functional theory. The electronic band structure shows the Mott…
The Mott-insulator \kappa-(BEDT-TTF)_2Cu_2(CN)_3 is the prime candidate of a quantum spin liquid with puzzling magnetic properties. Our THz and infrared investigations reveal that also the charge dynamics does not follow the expectations…
$\alpha$-RuCl$_3$ is a Mott insulator with a honeycomb lattice with strong spin-orbit coupling. We report dielectric measurements on $\alpha$-RuCl$_3$ single crystals under field. At zero field, the dielectric constant, $\epsilon$, drops…
Low-dimensional materials, in which the electronic and transport properties are drastically modified in comparison to those of three-dimensional bulk materials, yield a key class of thermoelectric materials with high conversion efficiency.…
Whether or not anomalies in the thermal conductivity in insulating cuprates can be attributed to antiferromagnetic order and magnons in a 2D Mott insulator remains an intriguing open question. To shed light on this issue, we investigate the…
Motivated by the structure of TDAE-\c60, we derive a multicomponent superexchange Hamiltonian for the spins and orbital (``isospin'') degrees of freedom in the Mott-insulating phase. We explore its phase diagram and identify points of…
We show that the anisotropy of the effective spin model for the dimer Mott insulator phase of $\kappa$-(BEDT-TTF)$_2X$ salts is dramatically different from that of the underlying tight-binding model. Intra-dimer quantum interference results…
Magnetic, dielectric, and magnetoelectric properties in a spin-state transition system are examined, motivated by the recent discovery of a multiferroic behavior in a cobalt oxide. We construct an effective model Hamiltonian based on the…
We investigate the effect that the temperature dependence of the crystal structure of a two dimensional organic charge-transfer salt has on the low-energy Hamiltonian representation of the electronic structure. For that, we determine the…
While the phase diagrams of the one- and multi-orbital Hubbard model have been well studied, the physics of real Mott insulators is often much richer, material dependent, and poorly understood. In the prototype Mott insulator…
The organic system, $\kappa$-[(BEDT-TTF)$_{1-x}$(BEDT-STF)$_x$]$_2$Cu$_2$(CN)$_3$, showing the Mott transition between a nonmagnetic Mott insulating (NMI) state and a Fermi liquid (FL), is systematically studied by calorimetric…
The two-dimensional organic conductor $\alpha$-(BEDT-TTF)$_2$I$_3$ undergoes a metal-insulator transition at $T_{\rm CO}=135$ K due to electronic charge ordering. We have conducted time-resolved investigations of its electronic properties…
The charge-ordered insulator $\alpha$-(BEDT-TTF)$_2$I$_3$ gradually evolves to a metal when pressure is applied, and at low temperatures the electronic bands form tilted Dirac-like cones. A metallic state with a frequency-independent…
In the most studied family of organic superconductors kappa-(BEDT-TTF)_2X, the BEDT-TTF molecules that make up the conducting planes are coupled as dimers. For some anions X, an antiferromagnetic insulator is found at low temperatures…
LDA+DMFT, the computation scheme merging the local density approximation and the dynamical mean-field theory, is employed to calculate spectra both below and above the Fermi energy and spin and orbital occupations in the correlated…
The dimer Mott insulator $\kappa$-(BEDT-TTF)$_2$Cu$_2$(CN)$_3$ exhibits unusual electrodynamic properties. Numerical investigations of the electronic ground state and the molecular and lattice vibrations reveal the importance of the…
We investigated the magnetism under a magnetic field in the quasi-two-dimensional organic Mott insulator $\kappa$-(BEDT-TTF)$_{2}$Cu[N(CN)$_{2}$]Cl through magnetization and $^{13}$C-NMR measurements. We found that in the nominally…
We report a detailed study of a model Hamiltonian which exhibits a rich interplay of geometrical spin frustration, strong electronic correlations, and charge ordering. The character of the insulating phase depends on the magnitude of…
We use a combination of optical spectra, first principles calculations, and energy dependent magneto-optical measurements to elucidate the electronic structure and to study the phase diagram of Ni$_3$V$_2$O$_8$. We find a remarkable…