Spectroscopic properties of pure and impurity-activated alkaline-earth sulfides as studied by optical and magnetic resonance techniques are reviewed.

Using first-principles density functional calculations, we show that ferroelectricity can be induced in simple alkaline-earth-metal binary oxides such as barium oxide (BaO) using appropriate epitaxial strains. Going beyond the fundamental discovery, we highlight that the functional properties (polarization, dielectric constant, and piezoelectric response) of such strained binary oxides are comp...

We investigate the properties of alkali-alkaline earth diatomic molecules in the lowest Σ(+) states of the doublet and quartet multiplicity by ab initio calculations. In all sixteen cases studied, the permanent electric dipole moment points in opposite directions for the two spin states. This peculiarity can be explained by molecular orbital theory. We further discuss dissociation energies and ...

(19)F isotropic chemical shifts for alkali, alkaline earth and rare earth of column 3 basic fluorides are measured and the corresponding isotropic chemical shieldings are calculated using the GIPAW method. When using the PBE exchange-correlation functional for the treatment of the cationic localized empty orbitals of Ca(2+), Sc(3+) (3d) and La(3+) (4f), a correction is needed to accurately calc...

The oxidation state is the simplest attribute of an element in a compound. It is taught early in the chemistry curriculum as a convenient electron-counting scheme for redox reactions. Its applications range from descriptive chemistry of elements to nomenclature and electrochemistry, or as an independent variable in plots and databases of bonded-atom properties (such as radius, bond-valence para...

Formation of carbonate minerals by CO2 sequestration is a potential means to reduce atmospheric CO2 emissions. Vast amount of alkaline and alkali earth metals exist in silicate minerals that may be carbonated. Laboratory experiments carried out to study the dissolution rate in Pahang Sandstone, Malaysia, by CO2 injection at different flow rate in surficial condition. X-ray Powder Diffraction (X...

The extraction-separation of alkali, alkaline earth, and rare earth metal ions could be improved by using macrocyclic ligands as ion size selective masking reagents. By adding a macrocyclic ligand to the aqueous phase of a conventional chelate extraction system, the extraction of metal ions with larger ionic radii was shifted to a higher pH region. Consequently, the separation among the metal i...

We have measured the a. c. conductivity of pure BaFz single crystals up to 1 336 K. At the higher temperatures we observed polarisation effects possibly due to a reaction of the crystal with the atmosphere in the cell. The defect energies derived from the low temperature region agree well with those obtained by Barsis and Taylor [27, 281. The effect of the high temperature phase transition on t...