Search
Now showing items 21-30 of 69
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 ...
Systematic trends in YAlO3, SrTiO3, BaTiO3, BaZrO3 (001) and (111) surface ab initio calculations
(World Scientific Publishing, 2019)
The paper presents and discusses the results of performed calculations for YAlO3 (111) surfaces using a hybrid B3LYP description of exchange and correlation. Calculation results for SrTiO3, BaTiO3 and BaZrO3 (111) as well ...
Low-temperature studies of Cr3+ ions in natural and neutron-irradiated Mg-Al spinel
(American Institute of Physics, 2020)
Original results on the EPR and photoluminescence Cr3+ ions in natural magnesium aluminum spinel (MgAl2O4) are presented. The photoluminescence spectra of Cr3+ ions in natural MgAl2O4 have been measured before and after ...
Ab initio calculations of CaZrO3 (011) surfaces: systematic trends in polar (011) surface calculations of ABO3 perovskites
(Springer, 2020)
By means of the CRYSTAL computer program package, first-principles calculations of polar ZrO-, Ca- and O-terminated CaZrO3 (011) surfaces were performed. Our calculation results for polar CaZrO3 (011) surfaces are compared ...
Extraction–Pyrolytic Method for TiO2 Polymorphs Production
(MDPI, 2021)
The unique properties and numerous applications of nanocrystalline titanium dioxide (TiO2) are stimulating research on improving the existing and developing new titanium dioxide synthesis methods. In this work, we demonstrate ...
Study of phase composition, photocatalytic activity, and photoluminescence of TiO2 with Eu additive produced by the extraction-pyrolytic method
(Elsevier, 2021)
Due to the unique properties and wide array of applications of nanocrystalline materials based on titanium dioxide, the study of new synthesis approaches remains relevant. In this study, within the framework of the ...
Positron annihilation lifetime spectroscopy insight on free volume conversion of nanostructured MgAl2 O4 ceramics
(Multidisciplinary Digital Publishing Institute (MDPI), 2021)
Herein we demonstrate the specifics of using the positron annihilation lifetime spectroscopy (PALS) method for the study of free volume changes in functional ceramic materials. Choosing technological modification of ...