The cohesive energy of layered ionic compounds consists of contributions of the Madelung energy, favouring symmetric coordinations, a repulsive energy, and a polarization energy stabilizing an asymmetric coordination of the polarizable anions. This explains the occurrence of layer-type structures for compounds with highly polarizable anions and small cations. The anisotropy of the dielectric constant and of the optical lattice vibrations of layered compounds is discussed in terms of a simple model with polarizable ions. The observed anisotropies are attributed to the presence of large static dipoles at the anions. Many layered materials show lattice distortions at low temperatures. The different types of distortions, such as charge density ...
Halide perovskite semiconductors and solar cells respond to electric fields in a way that varies acr...
The ions or molecules occupying the cells of a crystal lattice are in general optically anisotropic,...
Modeling the dielectric behavior of molecular materials made up of large π-conjugated molecules is a...
The cohesive energy of layered ionic compounds consists of contributions of the Madelung energy, fav...
The contribution of the induction energy to the stability of layered structures in MX2 )halide) syst...
Compounds belonging to the matlockite family are ionic layered crystals. Some previous experimental...
Metal-metal bonding may arise from a direct overlap of metal orbitals. However, an indirect interact...
Metal-metal bonding may arise from a direct overlap of metal orbitals. However, an indirect interact...
The results of ab initio calculations of in-crystal ionic polarizabilities, α, over a wide range of ...
The effect of higher order atomic polarizations on the cohesive energy of ionic crystals is treated ...
The results of electronic structure calculations of the induced dipoles and quadrupoles on an anion ...
The oscillations of the two interpenetrating lattices of the alkali and the halide ions respectively...
Atomic polarization phenomena impinge upon a number of areas and processes in physics. The dielectri...
A homogeneously deformed and uniformly polarized elastic dielectric is considered. For small displac...
The frequencies and the anharmonicities of the lattice oscillations of alkali halide crystals, i.e. ...
Halide perovskite semiconductors and solar cells respond to electric fields in a way that varies acr...
The ions or molecules occupying the cells of a crystal lattice are in general optically anisotropic,...
Modeling the dielectric behavior of molecular materials made up of large π-conjugated molecules is a...
The cohesive energy of layered ionic compounds consists of contributions of the Madelung energy, fav...
The contribution of the induction energy to the stability of layered structures in MX2 )halide) syst...
Compounds belonging to the matlockite family are ionic layered crystals. Some previous experimental...
Metal-metal bonding may arise from a direct overlap of metal orbitals. However, an indirect interact...
Metal-metal bonding may arise from a direct overlap of metal orbitals. However, an indirect interact...
The results of ab initio calculations of in-crystal ionic polarizabilities, α, over a wide range of ...
The effect of higher order atomic polarizations on the cohesive energy of ionic crystals is treated ...
The results of electronic structure calculations of the induced dipoles and quadrupoles on an anion ...
The oscillations of the two interpenetrating lattices of the alkali and the halide ions respectively...
Atomic polarization phenomena impinge upon a number of areas and processes in physics. The dielectri...
A homogeneously deformed and uniformly polarized elastic dielectric is considered. For small displac...
The frequencies and the anharmonicities of the lattice oscillations of alkali halide crystals, i.e. ...
Halide perovskite semiconductors and solar cells respond to electric fields in a way that varies acr...
The ions or molecules occupying the cells of a crystal lattice are in general optically anisotropic,...
Modeling the dielectric behavior of molecular materials made up of large π-conjugated molecules is a...