Erratum to: Lattice dynamics of alkali halides (LiF and NaCl)

Frenkel Defects in Alkali Halides

Excitons and Radiation Damage in Alkali Halides

The quantum mechanical description of atomic spectra was the beginning of a new era of quantum physics which today is the theoretical basis of nuclear and solid state physics, chemistry, and biochemistry [1,2]. Quantum mechanics opened also a new look to solid state physics which will be illustrated by the development of the conception of excitons [3]. One of the basic quantum mechanical proble...

Shear viscosity of molten alkali halides from equilibrium and nonequilibrium molecular-dynamics simulations.

The shear viscosity of molten NaCl and KCl was calculated through equilibrium (EMD) and nonequilibrium molecular-dynamics (NEMD) simulations in the canonical (N,V,T) ensemble. Two rigid-ion potentials were investigated, namely, the Born-Mayer-Huggins-Tosi-Fumi potential and the Michielsen-Woerlee-Graaf-Ketelaar potential with the parameters proposed by Ladd. The NEMD simulations were performed ...

Equilibrium and nonequilibrium molecular dynamics simulations of the thermal conductivity of molten alkali halides.

The thermal conductivity of molten NaCl and KCl was calculated through the Evans-Gillan nonequilibrium molecular dynamics (NEMD) algorithm and Green-Kubo equilibrium molecular dynamics (EMD) simulations. The EMD simulations were performed for a "binary" ionic mixture and the NEMD simulations assumed a pure system for reasons discussed in this work. The cross thermoelectric coefficient obtained ...

F-CENTER ELECTRON QUANTIZATION IN ALKALI HALIDE CRYSTALS Background Alkali halides and alkaline earth halides are strongly ionic compounds

Alkali halides and alkaline earth halides are strongly ionic compounds that solidify as crystals. The name for the alkali elements (Li, Na, K, Rb and Cs) comes from the Arabic word alqili (ashes of the salt-wort plant that was once used as a source of sodium and potassium for making glass from sand). The name for the halogen elements (F, Cl, Br, I—and the rare radioactive element astatine) come...