Abstract
Selected data of ab initio simulation of the electronic structure and spectral properties of either cluster with ions of iron, rare earth or actinium group elements have been presented here. Appearance of doped Cr +4 ions in oxides, Cu +2 in HTSC, Nd +2 in solids has been discussed. Analysis of experimental data for plasma created ordered structures of crystallites with size of about 10 –9 m on surface of separate oxides are given, too. Change in the spectroscopic properties of clusters and nano-structures on surface of strontium titanate crystals discussed shortly using the X-ray line spectroscopy experimental results. ► External influence and variation of technology induce changes in valence of nl ions in compounds. ► Wave function of cluster presented as anti-symmetrical set of ions wave functions. ► The main equation describes the self-consistent field depending on state of all electrons of cluster. ► Level scheme of Cr 4+ ions in octo- and tetra-site corresponds to doped oxides spectra after treatment. ► Plasma treatment effects in appearance of systems of unit crystallites with size of about 10 −6 –10 −9 m.
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