Related papers: Dielectric response of modified Hubbard models wit…
We investigate thermodynamic properties of a one-dimensional S=1/2 antiferromagnetic Heisenberg model coupled to a lattice distortion by a quantum Monte Carlo method. In particular we study how spin and lattice dimerize as a function of 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 critical behavior of the order-disorder phase transition in the buckled dimer structure of the Si(001) surface is investigated both theoretically by means of first-principles calculations and experimentally by spot profile analysis…
We examine a Peierls ground state and its competing metastable state in the one-dimensional quarter-filled Peierls-Hubbard model with the nearest-neighbor repulsive interaction V and the electron-phonon interaction (\propto 1/K with K being…
In conventional ferroelectrics the electric dipoles are generated by off-center displacements of ions. In recent years, a new type of so-called electronic ferroelectrics has attracted great attention, where the polarization is driven by…
The presence of superlattice reflections and detailed analyses of the powder neutron and x-ray diffraction data reveal that La rich (BF$_{0.50}$-LF$_{0.50}$)$_{0.50}$-(PT)$_{0.50}$ (BF-LF-PT) has ferroelectric rhombohedral crystal structure…
We present a comparison of methods for treating the electrostatic interactions of finite, isolated systems within periodic boundary conditions (PBCs), within Density Functional Theory (DFT), with particular emphasis on linear-scaling (LS)…
We show by means of ab-initio calculations that the organic molecular crystal TTF-CA is multiferroic: it has an instability to develop spontaneously both ferroelectric and magnetic ordering. Ferroelectricity is driven by a Peierls…
Charge transfer (CT) is a fundamental and ubiquitous mechanism in biology, physics and chemistry. Here, we evidence that CT dynamics can be altered by multi-layered hyperbolic metamaterial (HMM) substrates. Taking triphenylene:perylene…
We investigate the role of the electron correlation effects in the calculations of the electric dipole polarizabilities (\alpha) of elements belonging to three different groups of periodic table. To understand the propagation of the…
We have calculated static and dynamic electric dipole (E1) polarizabilities ($\alpha_F$) of the hyperfine levels of the clock transition precisely in $^{133}$Cs. The scalar, vector, and tensor components of $\alpha_F$ are estimated by…
Photoinduced phase transitions and charge dynamics in the interacting Dirac-electron system with a charge-ordered ground state are theoretically studied by taking an organic salt $\alpha$-(BEDT-TTF)$_2$I$_3$. By analysing the extended…
The ground state of the spin-Peierls system TiOCl was probed using synchrotron x-ray diffraction on a single-crystal sample at T = 6 K. We tracked the evolution of the structural superlattice peaks associated with the dimerized ground state…
Electrons on a two-dimensional (2$d$) lattice which is exposed to a strong uniform magnetic field show intriguing physical phenomena. The spectrum of such systems exhibits a complex (multi-)band structure known as Hofstadter's butterfly.…
We consider interacting paraparticle chains with a constant $R$-matrix where the Hamiltonian sums over the internal degrees (flavors) of the paraparticles. For such flavor-blind Hamiltonians we show a general factorization of the Hilbert…
In order to clarify the physics of the crossover from a Peierls band insulator to a correlated Mott-Hubbard insulator, we analyze ground-state and spectral properties of the one-dimensional half-filled Holstein-Hubbard model using…
In a recent letter [Phys. Rev. Lett. {\bf 75}, 2360 (1996)] we briefly discussed the existence and nature of ferroelectric order in positionally disordered dipolar materials. Here we report further results and give a complete description of…
We formulate a general theory of the dielectric response of a lattice with a structural transition and a polarization instability due to a soft-optic mode coupled to low energy electronic excitations by the electromagnetic fields. the…
Cross sections and polarization transfer observables in the $^{16}$O$(p,p')$ reactions at 392 MeV were measured at several angles between $\theta_{lab}=$ 0$^\circ$ and 14$^\circ$. The non-spin-flip (${\Delta}S=0$) and spin-flip…
Within the finite-field Kohn-Sham framework, static electric response properties of diatomic molecules are presented. The electronic energy, dipole moment ({\boldmath$\mu$}), static dipole polarizability ({\boldmath$\alpha$}) and…