The paper presents the results of first-principles computer simulations of the band structure, the density of states, and the total energy of NaCl (NaCl, Na2Cl2, Na3Cl3, Na4Cl4, Na6Cl6) linear chains of atoms. Modelling of the specified characteristics is realised in the computer code Atomistix ToolKit combined with Virtual NanoLab. The total energy depends on the number of ions in the nanoobject under study, but practically does not depend on the geometric arrangement of ions.
A. Luchechko, Ya. Zhydachevskyy, D. Sugak, O. Kravets, N. Martynyuk, A.I. Popov, S. Ubizskii and A. Suchocki
The MgGa2O4 ceramics co-doped with Mn2+ and Eu3+ ions were synthesized via a high-temperature solid-state reaction technique. The samples with various Eu3+ concentrations were characterised using high-resolution photoluminescence (PL) spectroscopy. The PL spectra show weak matrix emission in a blue spectral region with dominant excitation band around 380 nm. Manganese ions are highly excited deeply in UV region and exhibit emission band peaked at 502 nm. The Eu3+ ions show characteristic f-f excitation and emission lines. The energy transfer between host defects and activator ions was observed. Luminescence decay curves of Mn2+ and Eu3+ emission showed complex kinetics with both Eu3+-ion concentration and excitation wavelength changes.