相关论文: Rotor Lattice Model of Ferroelectric Large Polaron…
It is of great interest to design and make materials in which ferroelectric polarisation is coupled to other order parameters such as lattice, magnetic and electronic instabilities. Such materials will be invaluable in next-generation data…
Charge transport is crucial to the performance of hybrid halide perovskite solar cells. A theoretical model based on large polarons is proposed to elucidate charge transport properties in the perovskites. Critical new physical insights are…
Lead halide perovskite semiconductors are soft, polar, materials. The strong driving force for polaron formation (the dielectric electron-phonon coupling) is balanced by the light band effective-masses, leading to a strongly-interacting…
We demonstrate the formation of ferroelectric domain-wall polarons in a minimal two-dimensional lattice model of electrons interacting with rotating dipoles. Along the domain-wall, the rotors polarize in opposite directions, causing the…
The formation of polarons due to the interaction between charge carriers and the crystal lattice has been proposed to have wide-ranging effects on charge carrier dynamics in lead--halide perovskites (LHPs). The hypothesis underlying many of…
Hybrid organic-inorganic halide perovskites have shown remarkable optoelectronic properties (1-3), believed to originate from correlated motion of charge carriers and the polar lattice forming large polarons (4-7). Few experimental…
Polarons play a major role in the description of optical, electrical and dielectrical properties of several ferroelectric oxides. The motion of those particles occur by elementary hops among the material lattice sites. In order to compute…
Materials containing high densities of exceptionally displaceable ions (e.g. perovskites) have extremely large ratios of their static to high-frequency dielectric constants, > 2. Large polarons form in such materials as their electronic…
Elucidating transport mechanisms and predicting transport coefficients is crucial for advancing material innovation, design, and application. Yet, state-of-the-art calculations are restricted to exact simulations of small lattices with…
We study numerically the one-dimensional ferromagnetic Kondo lattice. This model is widely used to describe nickel and manganese perovskites. Due to the competition between double and super-exchange, we find a region where the formation of…
Halide perovskite semiconductors respond to electric fields in a way that varies across time and length scales. We discuss the microscopic processes that give rise to the macroscopic polarization of these materials, ranging from the optical…
We study the percolation of FINITE-SIZED objects on two- and three-dimensional lattices. Our motivation stems, on one hand from some recent interesting experimental results on transport properties of impurity-doped oxide perovskites and on…
Neutron scattering has been used to study the nature of the ferromagnetic transition in a single crystal of the perovskite La0.7Ca0.3MnO3. Diffuse scattering from lattice polarons develops as the Curie temperature is approached from below,…
The ferroelectric polarization of perovskite oxides is much larger than implied by displacement of static ionic charges. We use an explicitly correlated scheme to investigate the phenomenon; charge transport is evaluated as a geometric…
The charge transport properties of hybrid halide perovskites are investigated with a combination of density functional theory including van der Waals interaction and the Boltzmann theory for diffusive transport in the relaxation time…
We developed a theory of charge transport in a system of non-interacting polarons. The theory was conducted to a compact relation through a nonperturbative method based on electron-phonon Hamiltonian. The derived final result represents…
The formation of polarons is a pervasive phenomenon in transition metal oxide compounds, with a strong impact on the physical properties and functionalities of the hosting materials. In its original formulation the polaron problem considers…
We apply the Dynamical Mean Field Theory to the problem of charge ordering. In the normal state as well as in the Charge Ordered (CO) state the existence of polarons, i.e. electrons strongly coupled to local lattice deformation, is…
We study numerically the one dimensional ferromagnetic Kondo lattice, a model widely used to describe nickel and manganese perovskites. By including a nearest neighbor Coulomb interaction (V) and a superexchange interaction between the…
We use the Momentum Average approximation together with perturbative approaches, in the appropriate limits, to study the single polaron physics on a perovskite lattice inspired by BaBiO3. We investigate electron-phonon coupling of the…