2019

  1. A.P. Fokin, I.V. Bandurkin, M.Yu. Glyavin, V.N. Manuilov, A.S. Sedov, A.I. Tsvetkov, I.V. Zotova, A.E. Fedotov, T. Idehara, O. Dumbrajs.
    High cyclotron harmonics excitation in multi-beam terahertz range gyrotrons.
    2019 PhotonIcs & Electromagnetics Research Symposium - Spring (PIERS-Spring), Rome, Italy, 2019, pp. 2636-2639. pdf
    DOI: 10.1109/PIERS-Spring46901.2019.9017415

  2. K. Nowak, E.F. Plinski, T. Wieckowski, O. Dumbrajs.
    The gyrotron startup scenario in the single mode time dependent approach.
    Math. Model. Anal., 2019, 24, pp. 494-506. Open Access pdf
    DOI: 10.3846/mma.2019.030
    SNIP(2018)=0.918, IF(2018)=1.038

  3. R. Eglitis, J. Purans, A.I. Popov, R. Jia.
    Systematic trends in YAlO3, SrTiO3, BaTiO3, BaZrO3 (001) and (111) surface ab initio calculations.
    Int. J. Mod. Phys. B, 2019, 33, 1950390 (pp. 1-13). pdf
    DOI: 10.1142/S0217979219503909
    SNIP(2018)=0.413, IF(2018)=0.863

  4. A. Bakaev, A. Zinovev, D. Terentyev, G. Bonny, C. Yin, N. Castin, Yu.A. Mastrikov, E.E. Zhurkin.
    Interaction of carbon with microstructural defects in a W-Re matrix: An ab initio assessment.
    J. Appl. Phys., 2019, 126, 075110 (pp. 1-17). pdf
    DOI: 10.1063/1.5094441
    SNIP(2018)=1.047, IF(2018)=2.328

  5. A. Platonenko, F.S. Gentile, F. Pascale, A.M. Ferrari, M. D’Amore, R. Dovesi.
    Nitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties.
    Phys. Chem. Chem. Phys., 2019, 21, pp. 20939-20950. pdf
    DOI: 10.1039/c9cp03185e
    SNIP(2018)=0.981, IF(2018)=3.567

  6. F. Hu, X.-T. Liu, J.-L. Zhang, Q.-Ch. Zheng, R.I. Eglitis, H.-X. Zhang.
    MD simulation investigation on the binding process of smoke-derived germination stimulants to its receptor.
    J. Chem. Inf. Model., 2019, 59, pp. 1554−1562. pdf
    DOI: 10.1021/acs.jcim.8b00844
    SNIP(2018)=1.163, IF(2018)=3.966

  7. D. Bocharov, S. Piskunov, Yu.F. Zhukovskii, and R.A. Evarestov.
    Ab Initio calculations on the electronic structure and photocatalytic properties of two-dimensional WS2 (0001) nanolayers of varying thickness.
    Phys. Status Solidi RRL, 2019, 13, 1800253 (pp. 1-6). pdf
    DOI: 10.1002/pssr.201800253
    SNIP(2018)=1.017, IF(2018)=3.729

  8. A. Platonenko, F.S. Gentile, J. Maul, F. Pascale, E.A. Kotomin, R. Dovesi.
    Nitrogen interstitial defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties.
    Mater. Today Commun., 2019, 21, 100616 (pp. 1-13). pdf
    DOI: 10.1016/j.mtcomm.2019.100616
    SNIP(2018)=0.385, IF(2018)=1.859

  9. A.B. Usseinov, A.T. Akilbekov, E.A. Kotomin, A.I. Popov, D.D. Seitov, K.A. Nekrasov, Sh.G. Giniyatova, Zh.T. Karipbayev.
    The first principles calculations of CO2 Adsorption on (10-10) ZnO surface.
    AIP Conf. Proc., 2019, 2174, 020181 (pp. 1-6). pdf
    DOI: 10.1063/1.5134332
    SNIP(2018)=0.385

  10. G. Zvejnieks, L.L. Rusevich, D. Gryaznov, E.A. Kotomin.
    Interface-induced enhancement of piezoelectricity in the (SrTiO3)m/(BaTiO3)M-m superlattice for energy harvesting applications.
    Phys. Chem. Chem. Phys., 2019, 21, pp. 23541-23551. pdf
    DOI: 10.1039/c9cp04086b
    SNIP(2018)=0.981, IF(2018)=3.567

  11. L.N. Myasnikova, A.S. Istlyaup, D.M. Sergeyev, N.N. Zhanturina, K.Sh. Shunkeyev, A.I. Popov.
    Computer simulations of the band structure and density of states of the linear chains of NaCl ions.
    Latv. J. Phys. Tech. Sci., 2019, 56, n4, pp. 49-56. pdf
    DOI: 10.2478/lpts-2019-0024
    SNIP(2018)=0.325

  12. E. Polisadova, D. Valiev, V. Vaganov, V. Oleshko, T. Han, C. Zhang, A. Burachenko, A.I. Popov.
    Time-resolved cathodoluminescence spectroscopy of YAG and YAG:Ce3+ phosphors.
    Opt. Mater., 2019, 96, 109289 (pp. 1-6). pdf
    DOI: 10.1016/j.optmat.2019.109289
    SNIP(2018)=1.009, IF(2018)=2.687

  13. P. Wang, H. Xiao, L. Li, O. Dumbrajs.
    Functional analysis method for nonlinear theory of gyrotrons.
    IEEE Trans. Plasma Sci., 2019, 47, pp. 3141-3147. pdf
    DOI: 10.1109/TPS.2019.2917040
    SNIP(2018)=0.962, IF(2018)=1.325

  14. A. Luchechko, Ya. Zhydachevskyy, S. Ubizskii, O. Kravets, A.I. Popov, U. Rogulis, E. Elsts, E. Bulur, A. Suchocki.
    Afterglow, TL and OSL properties of Mn2+-doped ZnGa2O4 phosphor.
    Sci. Rep., 2019, 9, 9544 (pp. 1-8). pdf
    DOI: 10.1038/s41598-019-45869-7
    SNIP(2018)=1.240, IF(2018)=4.011

  15. R. Eglitis.
    Ab initio calculations of Li2(Co, Mn)O8 solid solutions for rechargeable batteries.
    Int. J. Mod. Phys. B, 2019, 33, 1950151 (pp. 1-8). pdf
    DOI: 10.1142/S0217979219501510
    SNIP(2018)=0.413, IF(2018)=0.863

  16. J-Y. Xi, R. Jia, W. Li, J. Wang, F-Q. Bai, R.I. Eglitis, H-X. Zhang.
    How does graphene enhance the photoelectric conversion efficiency of dye sensitized solar cells? An insight from a theoretical perspective.
    J. Mater. Chem. A, 2019, 7, pp. 2730-2740. pdf
    DOI: 10.1039/c8ta06872k
    SNIP(2018)=1.575, IF(2018)=10.733

  17. N. Sobolev, F. Djurabekova, E.A. Kotomin.
    Defect-induced effects in nanomaterials.
    Phys. Status Solidi B, 2019, 256, 1900181 (pp. 1-2). pdf
    DOI: 10.1002/pssb.201900181
    SNIP(2018)=0.660, IF(2018)=1.454

  18. Yu.A. Mastrikov, M.N. Sokolov, E.A. Kotomin, A. Gopejenko, Yu.F. Zhukovskii.
    Ab initio modeling of Y and O solute atom interaction in small clusters within the bcc iron lattice.
    Phys. Status Solidi B, 2019, 256, 1800346 (pp. 1-5). pdf
    DOI: 10.1002/pssb.201800346
    SNIP(2018)=0.660, IF(2018)=1.454

  19. A. Platonenko, D. Gryaznov, Yu.F. Zhukovskii, E.A. Kotomin.
    First principles simulations on migration paths of oxygen interstitials in MgAl2O4.
    Phys. Status Solidi B, 2019, 256, 1800282 (pp. 1-7). pdf
    DOI: 10.1002/pssb.201800282
    SNIP(2018)=0.660, IF(2018)=1.454

  20. D. Sugak, U. Yakhnevych, I.I. Syvorotka, O. Buryy, A.I. Popov, S. Ubizskii.
    Optical investigation of the OH− groups in the LiNbO3 doped by copper.
    Integrated Ferroelectrics, 2019, 196, pp. 32-38. pdf
    DOI: 10.1080/10584587.2019.1591981
    SNIP(2018)=0.379, IF(2018)=0.486

  21. D. Afanassyev, S. Ubizskii, Ya. Zhydachevskyy, A. Luchechko, A.I. Popov, A. Suchocki.
    Time-resolved pulsed OSL of ceramic YAP:Mn phosphors.
    Integrated Ferroelectrics, 2019, 196, pp. 24-31. pdf
    DOI: 10.1080/10584587.2019.1591980
    SNIP(2018)=0.379, IF(2018)=0.486

  22. R.I. Eglitis.
    Ab initio calculations of CaZrO3, BaZrO3, PbTiO3 and SrTiO3 (001), (011) and (111) surfaces as well as their (001) interfaces.
    Integrated Ferroelectrics, 2019, 196, pp. 7-15. pdf
    DOI: 10.1080/10584587.2019.1591976
    SNIP(2018)=0.379, IF(2018)=0.486

  23. E. Klotins.
    Electronic processes in solid state: Dirac framework.
    Latv. J. Phys. Tech. Sci., 2019, 56, n1, pp. 60-69. pdf
    DOI: 10.2478/lpts-2019-0006
    SNIP(2018)=0.325

  24. L.L. Rusevich, G. Zvejnieks, E.A. Kotomin.
    Ab initio simulation of (Ba,Sr)TiO3 and (Ba,Ca)TiO3 perovskite solid solutions.
    Solid State Ionics, 2019, 337, pp. 76–81. pdf
    DOI: 10.1016/j.ssi.2019.04.013
    SNIP(2018)=0.939, IF(2018)=2.886

  25. R.A. Evarestov, A. Senocrate, E.A. Kotomin, J. Maier.
    First-principles calculations of iodine-related point defects in CsPbI3.
    Phys. Chem. Chem. Phys., 2019, 21, pp. 7841-7846. pdf
    DOI: 10.1039/c9cp00414a
    SNIP(2018)=0.981, IF(2018)=3.567

  26. D. Zablotsky, L.L. Rusevich, G. Zvejnieks, V. Kuzovkov, E. Kotomin.
    Manifestation of dipole-induced disorder in self-assembly of ferroelectric and ferromagnetic nanocubes.
    Nanoscale, 2019, 11, pp. 7293-7303. pdf
    DOI: 10.1039/C9NR00708C
    SNIP(2018)=1.338, IF(2018)=6.970

  27. G. Prieditis, E. Feldbach, I. Kudryavtseva, A.I. Popov, E. Shablonin, A. Lushchik.
    Luminescence characteristics of magnesium aluminate spinel crystals of different stoichiometry.
    IOP Conf. Ser.: Mater. Sci. Eng., 2019, 503, 012021 (pp. 1-7). pdf
    DOI: 10.1088/1757-899X/503/1/012021
    SNIP(2018)=0.531

  28. H. Klym, O. Shpotyuk, I. Karbovnyk, L. Calvez, A.I. Popov.
    Structural investigation of crystallized Ge-Ga-Se chalcogenide glasses.
    IOP Conf. Ser.: Mater. Sci. Eng., 2019, 503, 012020 (pp. 1-6). pdf
    DOI: 10.1088/1757-899X/503/1/012020
    SNIP(2018)=0.531

  29. H. Klym, A. Ingram, I. Hadzaman, I. Karbovnyk, I. Vasylchyshyn, A.I. Popov.
    Nanoporous characterization of modified humidity-sensitive MgO-Al2O3 ceramics by positron annihilation lifetime spectroscopy method.
    IOP Conf. Ser.: Mater. Sci. Eng., 2019, 503, 012019 (pp. 1-6). pdf
    DOI: 10.1088/1757-899X/503/1/012019
    SNIP(2018)=0.531 

  30. Yu.F. Zhukovskii, S. Piskunov, R.A. Evarestov.
    First principles evaluation on photocatalytic suitability of 2H structured and [0001] oriented WS2 nanosheets and nanotubes.
    IOP Conf. Ser.: Mater. Sci. Eng., 2019, 503, 012002 (pp. 1-7). pdf
    DOI: 10.1088/1757-899X/503/1/012002
    SNIP(2018)=0.531

  31. D. Bocharov, Yu. Rafalskij, M. Krack, M. Putnina, A. Kuzmin.
    Negative thermal expansion of ScF3: first principles vs empirical molecular dynamics.
    IOP Conf. Ser.: Mater. Sci. Eng., 2019, 503, 012001 (pp. 1-4). pdf
    DOI: 10.1088/1757-899X/503/1/012001
    SNIP(2018)=0.531

  32. V. Seeman, E. Feldbach, T. Kärner, A. Maaroos, N. Mironova-Ulmane, A.I. Popov, E. Shablonin, E. Vasil'chenko, A. Lushchik.
    Fast-neutron-induced and as-grown structural defects in magnesium aluminate spinel crystals with different stoichiometry.
    Opt. Mater., 2019, 91, pp. 42-49. pdf
    DOI: 10.1016/j.optmat.2019.03.008
    SNIP(2018)=1.009, IF(2018)=2.687

  33. E. Heifets, E.A. Kotomin, A.A. Bagaturyants, J. Maier.
    Thermodynamic stability of non-stoichiometric SrFeO3-d: a hybrid DFT study.
    Phys. Chem. Chem. Phys., 2019, 21, pp. 3918-3931. pdf
    DOI: 10.1039/c8cp07117a
    SNIP(2018)=0.981, IF(2018)=3.567

  34. A. Chesnokov, D. Gryaznov, E.A. Kotomin.
    First principles calculations on CeO2 doped with Tb3+ ions.
    Opt. Mater., 2019, 90, pp. 76-83. pdf
    DOI: 10.1016/j.optmat.2019.02.016
    SNIP(2018)=1.009, IF(2018)=2.687

  35. R.I. Eglitis, A.I. Popov.
    Comparative ab initio calculations for ABO3 perovskite (001), (011) and (111) as well as YAlO3 (001) surfaces and F centers.
    J. Nano- Electron. Phys., 2019, 11, 01001 (pp. 1-6). pdf
    DOI: 10.21272/jnep.11(1).01001
    SNIP(2018)=0.461

  36. L.L. Rusevich, G. Zvejnieks, E.A. Kotomin, M. Maček Kržmanc, A. Meden, Š. Kunej, I.D. Vlaicu.
    Theoretical and experimental study of (Ba,Sr)TiO3 perovskite solid solutions and BaTiO3/SrTiO3 heterostructures.
    J. Phys. Chem. C, 2019, 123, pp. 2031−2036. pdf
    DOI: 10.1021/acs.jpcc.8b09750
    SNIP(2018)=1.083, IF(2018)=4.309

  37. S. Piskunov, O. Lisovski, Yu.F. Zhukovskii, P.N. D’yachkov, R.A. Evarestov, S. Kenmoe, E. Spohr.
    First-principles evaluation of the morphology of WS2 nanotubes for application as visible-light-driven water-splitting photocatalysts.
    ACS Omega, 2019, 4, pp. 1434-1442. pdf
    DOI: 10.1021/acsomega.8b03121
    SNIP(2018)=0.673

  38. S. Kenmoe, O. Lisovski, S. Piskunov, Yu.F. Zhukovskii, E. Spohr.
    Electronic and optical properties of pristine, N- and S-doped water-covered TiO2 nanotube surfaces.
    J. Chem. Phys., 2019, 150, 041714 (pp. 1-7). pdf
    DOI: 10.1063/1.5050090
    SNIP(2018)=0.969, IF(2018)=2.997

  39. A. Luchechko, V. Vasyltsiv, L. Kostyk, O. Tsvetkova, A.I. Popov.
    Shallow and deep trap levels in X-ray irradiated β-Ga2O3:Mg.
    Nucl. Instrum. Methods Phys. Res. B, 2019, 441, pp. 12–17. pdf
    DOI: 10.1016/j.nimb.2018.12.045
    SNIP(2018)=0.777, IF(2018)=1.210

  40. J. Wang, M.-Y. Wang, G. Yin, R. Jia, Jian Wang, R.I. Eglitis, H.-X. Zhang.
    Nickel-catalyzed carboxylation of aryl zinc reagent with CO2: A theoretical and experimental study.
    Journal of CO2 Utilization, 2019, 29, pp. 262-270. pdf
    DOI: 10.1016/j.jcou.2018.12.007
    SNIP(2018)=1.276, IF(2018)=5.189