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Computer Simulations of the Band Structure and Density of States of the Linear Chains of NaCl Ions Cover

Computer Simulations of the Band Structure and Density of States of the Linear Chains of NaCl Ions

Open Access
|Sep 2019

References

  1. 1. Lushchik, C., Kolk, J., Lushchik, A., Lushchik, N., Taiirov, M., & Vasilchenko, E. (1982). Decay of excitons into long-lived F, H and α, I pairs in KCl. Physica Status Solidi (b), 114(1), 103–111.10.1002/pssb.2221140112
  2. 2. Lushchik, C., Kolk, J., Lushchik, A., & Lushchik, N. (1984). Radiational creation of Frenkel defects in KCl- Tl. Physica Status Solidi (a), 86(1), 219–227.10.1002/pssa.2210860123
  3. 3. Lushchik, A. C., & Frorip, A. G. (1990). Thermalized and hot interstitial halogen ions in alkali halides. Physica Status Solidi (b), 161(2), 525–535.10.1002/pssb.2221610208
  4. 4. Popov, A. I., Kotomin, E. A., & Maier, J. (2010). Basic properties of the F-type centers in halides, oxides and perovskites. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 268(19), 3084–3089.10.1016/j.nimb.2010.05.053
  5. 5. Eglitis, R. I., Popov, A. I., & Kotomin, E. A. (1995). Computer simulations of I-center annealing in KCl and KBr crystals. Theoretical interpretation of thermostimulated experiments. Physica Status Solidi (b), 190(2), 353–362.10.1002/pssb.2221900204
  6. 6. Kuzovkov, V. N., Popov, A. I., Kotomin, E. A., Moskina, A. M., Vasilchenko, E., & Lushchik, A. (2016). Theoretical analysis of the kinetics of low-temperature defect recombination in alkali halide crystals. Low Temperature Physics, 42(7), 588–593.10.1063/1.4959018
  7. 7. Lushchik, A., Lushchik, Ch., Vasil’chenko, E., & Popov, A. (2018). Radiation creation of cation defects in alkali halide crystals: Review and today’s concept. Low Temperature Physics, 44, 357–367.10.1063/1.5030448
  8. 8. Kotomin, E., Popov, A., & Hirai, M. (1994). A contradiction between pulsed and steady-state studies in the recombination kinetics of close Frenkel defects in KBr and KCl crystals. Journal of the Physical Society of Japan, 63(7), 2602–2611.10.1143/JPSJ.63.2602
  9. 9. Kotomin, E. A., Popov, A. I., & Eglitis, R. I. (1992). Correlated annealing of radiation defects in alkali halide crystals. Journal of Physics: Condensed Matter, 4(27), 5901–5910.10.1088/0953-8984/4/27/009
  10. 10. Szymonski, M., Droba, A., Struski, P., & Krok, F. (2012). Dynamics of the defect-mediated desorption of alkali halide surfaces. Low Temperature Physics, 38(8), 774–778.10.1063/1.4743591
  11. 11. Chernov, S. A., Trinkler, L., & Popov, A. I. (1998). Photo-and thermo-stimulated luminescence of CsI—Tl crystal after UV light irradiation at 80 K. Radiation Effects and Defects in Solids, 143(4), 345–355.10.1080/10420159808214037
  12. 12. Popov, A. I., Chernov, S. A., & Trinkler, L. E. (1997). Time-resolved luminescence of CsI-Tl crystals excited by pulsed electron beam. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 122(3), 602–605.10.1016/S0168-583X(96)00664-7
  13. 13. Popov, A. I., & Balanzat, E. (2000). F centre production in CsI and CsI–Tl crystals under Kr ion irradiation at 15 K. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 166, 545–549.10.1016/S0168-583X(99)00789-2
  14. 14. Totsuka, D., Yanagida, T., Fujimoto, Y., Yokota, Y., Moretti, F., Vedda, A., & Yoshikawa, A. (2012). Afterglow suppression by co-doping with Bi in CsI: Tl crystal scintillator. Applied Physics Express, 5(5), 052601.10.1143/APEX.5.052601
  15. 15. Rogulis, U., Spaeth, J. M., Elsts, E., & Dolgopolova, A. (2004). Tl-related radiation defects in CsI: Tl. Radiation Measurements, 38(4–6), 389–392.10.1016/j.radmeas.2003.12.005
  16. 16. Zorenko, Y. V., Turchak, R. M., Gryk, W., & Grinberg, M. (2004). Luminescent spectroscopy of Eu2+ centers in CsBr: Eu single crystals at 10–550 K. Journal of Luminescence, 106(3-4), 313–320.10.1016/j.jlumin.2003.11.005
  17. 17. Trinkler, L. E., Trinkler, M. F., & Popov, A. I. (1993). Stimulation energy of the X-ray storage material KBr: In. Physica Status Solidi (b), 180(1), K31–K34.10.1002/pssb.2221800134
  18. 18. Schweizer, S. (2001). Physics and current understanding of X-ray storage phosphors. Physica Status Solidi (a), 187(2), 335–393.10.1002/1521-396X(200110)187:2<;335::AID-PSSA335>3.0.CO;2-Q
  19. 19. Popov, A. I., & Plavina, I. (1995). Photostimulated emission of KBr—In previously exposed to UV-or X-radiation. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 101(3), 252–254.10.1016/0168-583X(95)00485-8
  20. 20. Halliday, M. T. E., Hess, W. P., & Shluger, A. L. (2015). Structure and properties of electronic and hole centers in CsBr from theoretical calculations. Journal of Physics: Condensed Matter, 27(24), 245501.10.1088/0953-8984/27/24/245501
  21. 21. Armington, A. F., Posen, H., & Lipson, H. (1973). Strengthening of halides for infrared windows. Journal of Electronic Materials, 2(1), 127–136.10.1007/BF02658107
  22. 22. Kumar, A., Ravindra, N., & Rath, R. (1979). Optoelectronic properties of alkali halides. Journal of Physics and Chemistry of Solids, 40(12), 1141–1142.10.1016/0022-3697(79)90149-5
  23. 23. Uzi, L., Scharf, D., & Jortner, J. (1985). Electron localization in alkali-halide clusters. Physical Review Letters, 54(16), 1860–1863.10.1103/PhysRevLett.54.1860
  24. 24. Whetten, R.L. (1993). Alkali Halide Nanocrystals. Acc. Chem. Rev., 26, 49–56.10.1021/ar00026a003
  25. 25. Lisitsyn, V., Lisitsyna, L., & Polisadova, E. (2015). Nanodefect substructures in crystal phosphors. IOP Conference Series: Materials Science and Engineering, 81(1), 012020.10.1088/1757-899X/81/1/012020
  26. 26. Babin, V., Elango, A., Kalder, K., Maaroos, A., Shunkeev, K., Vasilchenko, E., & Zazubovich, S. (1999). Luminescent defects created in alkali iodides by unelastic uniaxial deformation at 4.2K. J. Luminescence, 81, 71–77.10.1016/S0022-2313(98)00051-9
  27. 27. Shunkeyev, K., Sergeyev, D., Myasnikova, L., Barmina, A., Shunkeyev, S., Zhanturina, N., & Aimaganbetova, Z. (2014). Vacancy dipole currents of thermostimulated depolarization in a plastically deformed KCl crystal. Russian Physics Journal, 57(4), 451–458.10.1007/s11182-014-0261-3
  28. 28. Kotomin, E. A., Kuzovkov, V. N., & Popov, A. I. (2001). The kinetics of defect aggregation and metal colloid formation in ionic solids under irradiation. Radiation Effects and Defects in Solids, 155(1–4), 113–125.10.1080/10420150108214102
  29. 29. Shunkeev, K., Sarmukhanov, E., Barmina, A., Myasnikova, L., Sagimbaeva, Sh., & Shunkeev, S. (2008). Specific features of the temperature quenching of luminescence of self-trapped excitons in alkali halide crystals under low-temperature deformation. Phys. Solid State, 50(10), 1799–1802.10.1134/S1063783408100016
  30. 30. Wang, F., & Landau, D.P. (2001). Efficient, multiple-range random walk algorithm to calculate the density of states. Phys. Rev. Lett. American Physical Society, 86, 2050–2053.10.1103/PhysRevLett.86.205011289852
  31. 31. Kaukonen, H.-P., Landman, U., & Cleveland, C.L. (1991). Reactions in clusters. J. Chem. Phys., 95, 4997–5013.10.1063/1.461716
  32. 32. Heidorn, S.-Ch., Bertram, C., Cabrera-Sanfelix, P., & Morgenstern, K. (2015). Consecutive mechanism in the diffusion of D2O on NaCl (100) bilayer. ACS Nano, 9(4), 3572–3578.10.1021/acsnano.5b0069125731809
  33. 33. Hoya, J., Laborde, J.I., Richard, D., & Rentería, M. (2017). Ab initio study of F-centers in alkali halides. Computational Materials Science, 139, 1–7.10.1016/j.commatsci.2017.07.015
  34. 34. Valeev, F., & Sherrill, C. D. (2003). The diagonal Born–Oppenheimer correction beyond the Hartree–Fock approximation. The Journal of Chemical Physics, 118 (9), 10.1063/1.1540626.10.1063/1.1540626
  35. 35. Atomistix ToolKit. Manual Version 2015.1., 840 (QuantumWise A/S: 2015).
  36. 36. Cherepanov, A.N., & Shul’gin, B.V. (2005). Utochneniye raschetnykh znacheniy radiusov ionov shchelochnogaloidnykh soyedineniy. Problemy spektroskopii: mezhvuzovskiy sbornik nauchnykh trudov, Yekaterinburg, 19, 77–86.
  37. 37. Sharma, S., Dewhurst, J. K., Lathiotakis, N. N., & Gross, E. K. (2008). Reduced density matrix functional for many-electron systems. Phys. Rev., B 78, 201103(R).10.1103/PhysRevB.78.201103
  38. 38. Kohn, W.A., Becke, D., & Parr, R.G. (1996). Density functional theory of electronic structure. J. Phys. Chem., 100, 12974–12980.10.1021/jp960669l
  39. 39. Roessler, D. M., & Walker, W. C. (1968). Electronic spectra of crystalline NaCl and KCl. Physical Review, 166(3), 599.10.1103/PhysRev.166.599
DOI: https://doi.org/10.2478/lpts-2019-0024 | Journal eISSN: 2255-8896 | Journal ISSN: 0868-8257
Language: English
Page range: 49 - 56
Published on: Sep 13, 2019
Published by: Institute of Physical Energetics
In partnership with: Paradigm Publishing Services
Publication frequency: 6 issues per year

© 2019 L.N. Myasnikova, A.S. Istlyaup, D.M. Sergeyev, N.N. Zhanturina, K.Sh. Shunkeyev, A.I. Popov, published by Institute of Physical Energetics
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.