AbstractWe have investigated the effects of the environment potential around Fluoride ion on some important electronic and magnetic properties such as dipole polarisability, moment of oscillator strengths S(k) and magnetic susceptibility. The theoretical procedure is based on the variational-perturbation theory with two parameter trial functions incorporated in an ionic model. We estimate these properties in four cases for Fluoride ion; free ion, ion under different potentials, ion in the crystals and ion in nanocrystal, CdF2, CaF2, PbF2, SrF2 and BaF2. Our results indicate that these properties vary with ion environments and the free state of Fluoride ion has higher values and there is linearity behaviour of these properties with lattice c...
Aspects of solid-state rare-earth and hydride-ion-vibrational spectroscopy have been studied, using ...
In this thesis the nature of ion mobility in cryolite and lead fluoride based compounds is investiga...
Many structural networks of transition metal fluorides and oxide fluorides may be derived from simpl...
We have investigated the bulk and surface properties of the group II metal fluorides CaF 2 , SrF 2 a...
We have investigated the bulk and surface properties of the group II metal fluorides CaF 2 , SrF 2 a...
Electronic structure calculations of the induced dipole and quadrupole moments on a fluoride ion at ...
Fluoride, a small and monovalent anion with high charge density, is highly mobile in certain metal f...
Nanocrystalline samples of Ba1-xCaxF2 prepared by high-energy milling show an unusually high F-ion c...
We report a systematic investigation on the electronic and optical properties of the smallest stable...
International audiencePhotonic and Electronic Properties of Fluoride Materials: Progress in Fluorine...
The ground state properties of fluorite (CaF2) have been studied using CRYSTAL, an ab initio periodi...
Rare‐earth based luminescent materials are key functional components for the rational design of ligh...
Surfaces and interfaces of bulk materials with liquids are of importance for a wide range of chemica...
An interionic potential to describe the interactions in PbF2 is constructed from ab initia calculati...
The results of the crystallographic analysis in combination with quantum chemical calculations have ...
Aspects of solid-state rare-earth and hydride-ion-vibrational spectroscopy have been studied, using ...
In this thesis the nature of ion mobility in cryolite and lead fluoride based compounds is investiga...
Many structural networks of transition metal fluorides and oxide fluorides may be derived from simpl...
We have investigated the bulk and surface properties of the group II metal fluorides CaF 2 , SrF 2 a...
We have investigated the bulk and surface properties of the group II metal fluorides CaF 2 , SrF 2 a...
Electronic structure calculations of the induced dipole and quadrupole moments on a fluoride ion at ...
Fluoride, a small and monovalent anion with high charge density, is highly mobile in certain metal f...
Nanocrystalline samples of Ba1-xCaxF2 prepared by high-energy milling show an unusually high F-ion c...
We report a systematic investigation on the electronic and optical properties of the smallest stable...
International audiencePhotonic and Electronic Properties of Fluoride Materials: Progress in Fluorine...
The ground state properties of fluorite (CaF2) have been studied using CRYSTAL, an ab initio periodi...
Rare‐earth based luminescent materials are key functional components for the rational design of ligh...
Surfaces and interfaces of bulk materials with liquids are of importance for a wide range of chemica...
An interionic potential to describe the interactions in PbF2 is constructed from ab initia calculati...
The results of the crystallographic analysis in combination with quantum chemical calculations have ...
Aspects of solid-state rare-earth and hydride-ion-vibrational spectroscopy have been studied, using ...
In this thesis the nature of ion mobility in cryolite and lead fluoride based compounds is investiga...
Many structural networks of transition metal fluorides and oxide fluorides may be derived from simpl...