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Analysis of self-trapped hole mobility in alkali halides and metal halides
(Elsevier B.V., 2017)
The small radius hole polarons (self-trapped holes (STH) known also as the Vk centers) are very common color centers observed in numerous alkali halides and alkaline-earth halides. Their mobility controls the rate of ...
Thermal annealing and transformation of dimer F centers in neutron-irradiated Al2O3 single crystals
(Elsevier B.V., 2021)
The precise study of the thermal annealing of the F2-type dimer defects, being under discussion in the literature for a long time and responsible for the number of absorption bands below 4.5 eV, has been performed in ...
Atomic, electronic and magnetic structure of an oxygen interstitial in neutron-irradiated Al2O3 single crystals
(Nature Research, 2020)
A single radiation-induced superoxide ion O2- has been observed for the first time in metal oxides. This structural defect has been revealed in fast-neutron-irradiated (6.9×1018n/cm2) corundum (α-Al2O3) single crystals ...
Comparative ab initio calculations of reo3, srzro3, bazro3, pbzro3 and cazro3 (001) surfaces
(MDPI AG, 2020)
We performed, for first time, ab initio calculations for the ReO2-terminated ReO3 (001) surface and analyzed systematic trends in the ReO3, SrZrO3, BaZrO3, PbZrO3 and CaZrO3 (001) surfaces using first-principles calculations. ...
Impact of gadolinium on the structure and magnetic properties of nanocrystalline powders of iron oxides produced by the extraction-pyrolytic method
(MDPI AG, 2020)
Interest in magnetic nanoparticles is primarily due to their practical use. In this work, for the production of nanocrystalline powders of pure and gadolinium doped iron oxides, the extraction-pyrolytic method (EPM) was ...
Fabrication and characterization of magnetic FePt nanoparticles prepared by extraction–pyrolysis method
(Lietuvos Mokslu Akademijos, 2018)
In the present work, possibilities of the extraction–pyrolysis method (EPM) to produce FePt nanoparticles with the face-centered tetragonal (fct) phase were studied. A mixture of fine-disperse powder of carbonyl iron and ...
Crystalline phase detection in glass ceramics by EPR spectroscopy
(AIP Publishing, 2018)
The advances of EPR spectroscopy for the detection of activators as well as determining their local structure in the crystalline phase of glass ceramics is considered. The feasibility of d-element (Mn2+, Cu2+) and f-element ...
Synthesis and luminescent properties of Mn-doped alpha-tricalcium phosphate
(Elsevier, 2021)
In this work, a series of Mn2+-doped α-tricalcium phosphate (α-TCP) powders was synthesized by wet co-precipitation method followed by high-temperature annealing and thermal quenching. It was shown that Mn2+-doped α-TCP ...
Ab-Initio Calculations of Oxygen Vacancy in Ga2O3 Crystals
(Sciendo, 2021)
Gallium oxide β-Ga2O3 is an important wide-band gap semiconductor. In this study, we have calculated the formation energy and transition levels of oxygen vacancies in β-Ga2O3 crystal using the B3LYP hybrid exchange-correlation ...
First principles hybrid Hartree–Fock–DFT calculations of bulk and (001) surface F centers in oxide perovskites and alkaline-earth fluorides
(American Institute of Physics, 2020)
We report the results of ab initio calculations and analysis of systematic trends for the F centers in the bulk and on the (001) surface in oxide perovskites, such as BaTiO3, SrTiO3, SrZrO3, and PbZrO3, with a corresponding ...