showing 32 related works from this author
First principles calculations of the vibrational properties of single and dimer F-type centers in corundum crystals
2020
The present paper investigates the F-type centers in α-Al2O3 through their electronic and vibrational properties from first principle calculations using a periodic supercell approach, a hybrid functional, and all-electron Gaussian basis sets as implemented in the CRYSTAL17 code. Single F-type and dimer F2-type centers related to oxygen vacancies in various charge states were considered. The defect-induced vibrational modes were identified and found to appear mainly in the low (up to 300 cm-1) and high (above 700 cm-1) frequency regions, depending on the defect charge. The perturbation introduced by the defects to the thermal nuclear motion in the crystal lattice is discussed in terms of ato…
Charge distribution and optical properties of and F centres in crystals
1997
Results of quantum chemical calculations for the and F centres in cubic and orthorhombic phases of a perovskite ferroelectric are presented and analysed in the light of existing experimental literature. It is shown that one (two) electrons of the and F centres, respectively, are considerably delocalized, even in the ground state of defects, over the two Nb atoms nearest to the O vacancy, and other close atoms. They resemble more electron defects in partly covalent crystals (the so-called centre) than F-type centres in ionic MgO crystals. We predict two or three absorption bands (depending on the crystalline phase) for each of the defects. The calculated absorption energies for the centre ar…
Charge transport in electrically responsive polymer layers
2007
The processes of charge transport in the conducting polymer electrochromic films have been studied by means of spectral-electrochemical method, impedance spectroscopy and cyclic voltametry measurements. It has been shown that charge transport during the coloration-bleaching processes is not symmetric phenomenon. By means of impedance spectroscopy the effective diffusion coefficients for anode and cathode charge transport have been measured. The higher rate of charge transport in the bleaching process as compared to coloration is considered in the frame of conformation rebuilding of conducting polymer chains.
Crystalline phase detection in glass ceramics by EPR spectroscopy
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 (Gd3+, Eu2+) ion probes for the investigation of glass ceramics is discussed. In the case of Mn2+, the information is obtained from the EPR spectrum superhyperfine structure, for Gd3+ and Eu2+ probes – from the EPR spectrum fine structure, whereas for Cu2+ ions the changes in the EPR spectrum shape could be useful. The examples of EPR spectra of the above-mentioned probes in oxyfluoride glass ceramics are illustrated. ----/ / /---- This is the preprint version of the fol…
Ab Initio Computations of O and AO as well as ReO2, WO2 and BO2-Terminated ReO3, WO3, BaTiO3, SrTiO3 and BaZrO3 (001) Surfaces
2022
This research received funding from the Latvian-Ukraine cooperation Project No. LV/UA-2021/5. The Institute of Solid State Physics, University of Latvia (Latvia), as the Centre of Excellence, has received funding from the European Unions Horizon 2020 Framework Programme H2020-WIDESPREAD01-2016-2017-Teaming Phase2 under Grant Agreement No. 739508, project CAMART2.
Ab initio calculations of structural, electronic and vibrational properties of BaTiO3 and SrTiO3 perovskite crystals with oxygen vacancies
2020
The first-principles (ab initio) computations of the structural, electronic, and phonon properties have been performed for cubic and low-temperature tetragonal phases of BaTiO3 and SrTiO3 perovskite crystals, both stoichiometric and non-stoichiometric (with neutral oxygen vacancies). Calculations were performed with the CRYSTAL17 computer code within the linear combination of atomic orbitals approximation, using the B1WC advanced hybrid exchange-correlation functional of the density-functional-theory (DFT) and the periodic supercell approach. Various possible spin states of the defective systems were considered by means of unrestricted (open shell) DFT calculations. It was demonstrated that…
The kinetics of diffusion-controlled annealing of Frenkel defects in alkali halide crystals
1994
Abstract The annealing kinetics of the strongly correlated (the so-called geminate) pairs of both neutral F,H centers as well as F, I centers entering secondary triplets (F…Ihellip; self-trapped hole) in KCl and KBr crystals is calculated. In this model diffusion of hole I and H centers and their annihilation with electron F centers at short relative distances stimulated by the elastic or Coulomb interaction are taken into account. It is demonstrated that F,H pairs are destroyed by tunneling recombination already at times ≤ 10−4 s, i.e. much before the beginning of the thermostimulated experiments. A possible explanation of this contradiction is discussed.
Oxygen Vacancy Formation and Migration within the Antiphase Boundaries in Lanthanum Scandate-Based Oxides: Computational Study.
2022
The study was performed with the financial support from the Latvian Council of Science under the grant agreement LZP-2020/2-0009. Calculations were performed at the HLRS, University of Stuttgart, within the project 12939 DEFTD. The Institute of Solid State Physics, University of Latvia (Latvia), as the Centre of Excellence has received funding from the European Union’s Horizon 2020 Frame-work Programme H2020-WIDESPREAD-01-2016-2017-Teaming Phase2 under grant agreement No. 739508, project CAMART2.
Systematic trends in (0 0 1) surface ab initio calculations of ABO 3 perovskites
2018
This work was supported by the Latvian Council of Science Grant No. 374/2012 and the Latvian National Research Program IMIS2. Many stimulating discussions with D. Vanderbilt, K.M. Rabe, M. Rohlfing, E. Heifets, J. Maier, G. Borstel and E.A. Kotomin are greatly acknowledged.
A Contradiction between Pulsed and Steady-State Studies in the Recombination Kinetics of Close Frenkel Defects in KBr and KCl Crystals
1994
Theoretical study of the kinetics of the correlated annealing of pairs of close (geminate) F-H centers in KCl and KBr crystals controlled by their diffusion and elastic attraction shows that the multi-step (kink) decay in defect concentrations observed more than once in thermostimulated experiments takes place only for very close F-H center pairs which are no further than fourth nearest neighbors. On the other hand, it is demonstrated (both theoretically and experimentally) that such F-H center pairs should be destroyed by the tunneling recombination already at time ≤10 -4 s, i.e. much before beginning of the thermostimulated experiments. Possible explanations of this contradiction are sugg…
Radiation-induced point defects in simple oxides
1998
We present a survey of recent theoretical studies of radiation-induced point defects in simple oxides with emphasis on highly ionic MgO, partly-covalent corundum (Al2O3) and ferroelectric KNbO3. The atomic and electronic structure of the electronic (F a and F centers) and hole centers, as well as interstitial atoms therein are discussed in light of the available experimental data. Results for defect diAusion and photo-stimulated F a fi F center conversion are also ana
Synthesis and luminescent properties of Mn-doped alpha-tricalcium phosphate
2021
This project has received funding from European Social Fund (project No 09.3.3-LMT-K-712-19-0069) under grant agreement with the Research Council of Lithuania (LMTLT). Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART². The World Federation of Scientists is highly acknowledged for the National Scholarship to AZ. © 2021. This work is licensed under a CC BY-NC-ND 4.0 license.
THE KINETICS OF RADIATION-INDUCED POINT DEFECT AGGREGATION AND METALLIC COLLOID FORMATION IN IONIC SOLIDS
2007
Photostimulated processes in the CsI-Tl crystal after UV irradiation
1997
The photostimulated luminescence is studied for CsI-Tl crystal after irradiation with ultraviolet light in the 80 - 300 K temperature range. The PSL creation spectrum coincides with the D absorption band at 80 K. Three bands are observed in the stimulation spectra at 80 K: 1400, 950, and 600 nm. The 1400 and 950 nm stimulation bands are presumably explained as optical transitions in the Tl 0 and V k centers situated in the spatial correlated pairs. The stimulation at 600 nm band is ascribed to the unperturbed Tl 0 centers.
Study of the Effect of Two Phases in Li4SiO4–Li2SiO3 Ceramics on the Strength and Thermophysical Parameters
2022
This research was funded by the Science Committee of the Ministry of Education and Science of the Republic of Kazakhstan (No. BR11765580). The research of the team from Latvia (A.M., V.P. and A.I.P.) has been carried out within the framework of the EUROfusion Consortium, funded by the European Union via the Euratom Research and Training Programme (Grant Agreement No. 101052200—EUROfusion). Views and opinions expressed are however those of the author(s) only and do not necessarily reflect those of the European Union or the European Commission. Neither the European Union nor the European Commission can be held responsible for them. The research was partly (A.M., V.P. and A.I.P.) performed in …
Comparative Ab Initio Calculations of ReO3, SrZrO3, BaZrO3, PbZrO3 and CaZrO3 (001) Surfaces
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. According to the ab initio calculation results, all ReO3, SrZrO3, BaZrO3, PbZrO3 and CaZrO3 (001) surface upper-layer atoms relax inwards towards the crystal bulk, all second-layer atoms relax upwards and all third-layer atoms, again, relax inwards. The ReO2-terminated ReO3 and ZrO2-terminated SrZrO3, BaZrO3, PbZrO3 and CaZrO3 (001) surface band gaps at the &Gamma
Study of phase composition, photocatalytic activity, and photoluminescence of TiO2 with Eu additive produced by the extraction-pyrolytic method
2021
The Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART2. The work was also partially supported by the LZP grant 2020/2-0074. R. Burve has been supported by the project “Synthesis of nanostructured materials based on titanium dioxide and tin dioxide and investigation of their physicochemical properties” Nr. MP-2019/7, for strengthening scientific personnel capacity 2019/2020 at the Riga Technical University. Authors are grateful to Dr. K. Šmits for the microscopic measurements and SEM images.
Investigation of the Efficiency of Shielding Gamma and Electron Radiation Using Glasses Based on TeO2-WO3-Bi2O3-MoO3-SiO to Protect Electronic Circui…
2022
This research was funded by the Science Committee of the Ministry of Education and Science of the Republic of Kazakhstan (No. AP09058081). EP, EE, and AIP thank the Institute of Solid State Physics, University for their support. ISSP UL as the Center of Excellence is supported through the Framework Program for European universities Union Horizon 2020, H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under Grant Agreement No. 739508, CAMART2 project.
Optical and Vibrational Spectra of CsCl-Enriched GeS2-Ga2S3 Glasses
2016
Optical and FTIR spectroscopy was employed to study the properties of 80GeS2-20Ga2S3-CsCl chalcohalide glasses with CsCl additives in a temperature range of 77–293 K. It is shown that CsCl content results in the shift of fundamental absorption edge in the visible region. Vibrational bands in FTIR spectra of (80GeS2-20Ga2S3)100 − х (СsCl) x (x = 5, 10, and 15) are identified near 2500 cm−1, 3700 cm−1,, around 1580 cm−1, and a feature at 1100 cm−1. Low energy shifts of vibrational frequencies in glasses with a higher amount of CsCl can be caused by possible thermal expansion of the lattice and nanovoid agglomeration formed by CsCl additives in the inner structure of the Ge-Ga-S glass.
Efficiency and dynamic range of the photostimulable x-ray storage material KBr:In
1997
By calibrating the photostimulated luminescence (PSL) response with the known intensity of a standard light source, efficiency of the KBr:In powder material to the x- ray bremsstrahlung exposure at room temperature is estimated. At 44 and 85 kV voltages on the x-ray tube, the values of (8 plus or minus 2) multiplied by 10 5 and (18 plus or minus 4) multiplied by 10 5 photons from 1 mm 2 area of the 1 mm thick material are obtained as PSL responses on a 1 mR x-ray exposure, respectively. Under an assumption of the uniform x-ray excitation within the material, the maximum values for the x-ray irradiation dose and the PSL response both corresponding to the upper limit of linearity range are te…
Multimode Representation of the Magnetic Field for the Analysis of the Nonlinear Behavior of Solar Activity as a Driver of Space Weather
2022
ISSP UL as the Center of Excellence is supported through the Framework Program for European universities Union Horizon 2020, H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under Grant Agreement No. 739508, CAMART2 project; Internal Foundation of University of Maryland.
Low temperature X-ray luminescence of KNbO3 crystals
2000
We have studied X-ray luminescence of KNbO3 single crystal. The 575 nm luminescence band has been studied in the temperature range of 15‐45 K. The quenching parameters were found to be Qa 12 3 meV and ma 4 10 11 s ˇ1 .N o luminescence has been observed under heavy ion excitation ( 86 Kr ions, 8.63 MeV/amu) even at 15 K. ” 2000 Elsevier
Performance data of optically stimulable irradiated materials (doped alkali halides) oriented for imaging and dosimetry purposes
1997
Performance characteristics of a doped alkali halide (KBr:In)-based imaging plate (IP) and dosemeter (D) both the devices utilizing optically stimulated luminescence (OSL) and suitable for UV-light and x-ray energy recording are described. By exploiting (silicon) photodiode array as a photodetector, the detective quantum efficiency of 0.1 for IP (KBr:In) can be achieved. A very wide dynamic range, 1010:1 for UV (6.35 eV) and 1011:1 for x-ray (44 kV tube voltage) OSL recording at the spatial resolution of 1 mm2, is favorable for digital imaging and considerably improves image quality. These possibilities are illustrated by presenting available information capacities, energy consumption per b…
Hybrid density functional calculations of hyperfine coupling tensor for hole-type defects in MgAl2O4
2020
This work has been performed within the framework of the EUROfusion Enabling Research project: ENR-MFE19.ISSP-UL-02 “Advanced experimental and theoretical analysis of defect evolution and structural disordering in optical and dielectric materials for fusion application”. The views and opinions expressed herein do not necessarily reflect those of the European Commission.
Combustion Formation of Novel Nanomaterials: Synthesis and Cathodoluminescence of Silicon Carbide Nanowires
2009
This paper presents the combustion synthesis and characterization of one-dimensional silicon carbide nanostructures (nanowires of 3C-SiC polytype with zincblend structure) by means of cathodoluminescence technique. Cathodoluminescence spectra of nano-SiC samples and, as a reference, of a commercially available SiC micropowder are compared. It is shown that the emission band at 1.97 eV which is slightly evidenced in the spectrum of the commercial SiC under 10 keV electron beam irradiation becomes the prevailing band in CL of the purified silicon carbide nanowires.
Positron annihilation characterization of free volume in microand macro-modified Cu0.4Co0.4Ni0.4Mn1.8O4ceramics
2016
Free volume and pore size distribution size in functional micro and macro-micro-modified Cu0.4Co0.4Ni0.4Mn1.8O4 ceramics are characterized by positron annihilation lifetime spectroscopy in comparison with Hg-porosimetry and scanning electron microscopy technique. Positron annihilation results are interpreted in terms of model implication positron trapping and ortho-positronium decaying. It is shown that free volume of positron traps are the same type for macro and micro modified Cu0.4Co0.4Ni0.4Mn1.8O4 ceramics. Classic Tao-Eldrup model in spherical approximation is used to calculation of the size of nanopores smaller than 2 nm using the ortho-positronium lifetime.
Systematic Trends in Hybrid-DFT Computations of BaTiO3/SrTiO3, PbTiO3/SrTiO3 and PbZrO3/SrZrO3 (001) Hetero Structures
2022
We acknowledge the financial support from the funder—Latvian Council of Science. The funding number is: Grant No. LZP-2020/1-0345. The Institute of Solid State Physics, University of Latvia (Latvia), as the Centre of Excellence, has received funding from the European Unions Horizon 2020 Framework Programme H2020-WIDESPREAD01-2016-2017-Teaming Phase2 under Grant Agreement No. 739508, project CAMART-2.
Luminescence and vacuum ultraviolet excitation spectroscopy of samarium doped SrB4O7
2020
Abstract Sm2+ and Sm3+ co-doped SrB4O7 could be utilized in several high-level optical devices and fundamental knowledge about the optical behavior of these materials benefits the development of luminescent applications. Herein, we report luminescence and its vacuum ultraviolet (VUV) excitation spectra in samarium doped SrB4O7. Both, Sm2+ and Sm3+ luminescence centers have been examined and distinguished in the emission and the excitation spectra investigated under synchrotron radiation. The contribution of either Sm2+ or Sm3+ emission lines into the emission spectra heavily depended on the excitation energy, and strong f-f transitions of both Sm2+ and Sm3+ were detected. At 10 K, a broad i…
Computer Simulations of I-Center Annealing in KCl and KBr Crystals. Theoretical Interpretation of Thermostimulated Experiments
1995
Results of computer simulations of the kinetics of correlated annealing of pairs of close α–I and F–I centers in KCI and KBr crystals, enhanced by I-center diffusion and Coulomb or elastic attractions, respectively, are presented. Special attention is paid to the conditions under which multi-stage annealing stages arise as it has been observed experimentally more than once. Our general conclusions are: (i) a weak elastic interaction affects the recombination kinetics and the survival probability even for relatively well-separated F–I pairs, the more so is true for the case of Coulomb attraction between charged α–I pairs; (ii) the multi-step (kink) structure arises only for close (typically,…
Paramagnetic Defects and Thermoluminescence in Irradiated Nanostructured Monoclinic Zirconium Dioxide
2022
The work was carried out under the grant of the Ministry of Education and Science of the Republic of Kazakhstan AP09260057, “Luminescence and radiation resistance of synthesized under different conditions micro- and nanostructured compacts and ceramics based on ZrO2”. The research was partly (A.I.P.) performed at the Center of Excellence of the Institute of Solid State Physics, University of Latvia, supported through European Union Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2, under grant agreement No. 739508, project CAMART2.
Afterglow, TL and OSL properties of Mn2+-doped ZnGa2O4 phosphor
2019
The work was supported by Latvian Research Council via LZP-2018/1–0214 research project as well as the Latvian-Ukrainian Joint Research Project (LV-UA/2016/1 in Latvia and M/8-2018 (No. 0118U001672) in Ukraine), and by the NATO SfP Project G4649. The work was also partially supported by the Polish National Science Center (project 2018/31/B/ST8/00774). A. Luchechko gratefully acknowledges a grant from Institute of Physics PAS for a research visit to the Institute.
Silicon carbide nanowires: synthesis and cathodoluminescence
2009
Silicon carbide nanowires have been synthesized via a combustion synthesis route. Structural studies showed that obtained SiC nanowires belong dominantly to 3C polytype with zinc-blend structure. Cathodoluminescence spectra from these nanostructures within the temperature range of 77...300 K, show obvious differences with respect to the bulk materials. The exciton band of the bulk 3C-SiC is significantly damped and the prevailing line is found to be at 1.99 eV (77 K), proving the key role of defect centers in optical properties of the investigated nanomaterial.