Journal of Physical Studies 24(4), Article 4702 [6 pages] (2020)
DOI: https://doi.org/10.30970/jps.24.4702

ELECTRONIC STRUCTURE AND X-RAY SPECTRA OF THE Ce2ScSi2 COMPOUND

I. D. Shcherba1 , V. N. Antonov2 , D. Uskokovic3 , L. V. Bekenov2 , H. Noga4 , M. V. Kovalska1 , Z. M. Shpyrka1 , V. A. Denys1

1Ivan Franko National University of Lviv,
8, Kyrylo & Mefodiy St., Lviv, UA–79005, Ukraine
2G. V. Kurdyumov Institute for Metal Physics of the N.A.S. of Ukraine, UA–03142 Kyiv, Ukraine
3Institute of Technical Sciences of SASA, Knez Mihailova 35/IV, PO Box 37711000 Belgrade, Serbia
4Institute of Technology, Pedagogical University,
2, Podchorążych St., 30-084 Cracow, Poland
e-mail: ishcherba@gmail.com

Received 28 August 2020; in final form 19 October 2020; accepted 22 October 2020; published online 01 December 2020

X-ray absorption spectrum at the $L_{3}$ edge of Ce and X-ray emission spectra at the $K$ and $L_{2,3}$ edges of Si in the mixed-valence compound Ce$_{2}$ScSi$_{2}$ with the crystal structure of its own type have been studied experimentally and within the framework of the density functional theory with an additional Hubbard-like term (DFT+U). Good agreement between the theory and the experiment was found. Both the trivalent and the quadrivalent Ce ions in Ce$_{2}$ScSi$_{2}$ are reflected in the experimentally measured Ce $L_{3}$ X-ray absorption spectrum, simultaneously. We have found that the valence of cerium in Ce$_{2}$ScSi$_{2}$ corresponds to approximately 92\

Key words: X-ray spectra, mixed valence, electronic structure, intermetallides

Full text


References
  1. C. M. Varma, Rev. Mod. Phys. 48, 219 (1976);
    Crossref
  2. J. M. Lawrence, P. S. Riseborough, R. D. Parks, Rep. Prog. Phys. 44, 1 (1981);
    Crossref
  3. P. Wachter, in Handbook of the Physics and Chemistry of Rare Earths. Lanthanides/Actinides: Physics - II. Vol. 19, edited by K. A. Gschneidner, Jr., LeRoy Eyring G. H. Lander, G. R. Choppin (Elsevier, 1994), p. 177;
    Crossref
  4. V. Antonov, B. Harmon, A. Yaresko, Electronic Structure and Magneto-Optical Properties of Solids (Kluwer, Dordrecht, 2004).
  5. T. Goto, B. Lüthi, Adv. Phys. 52, 67 (2003);
    Crossref
  6. Y. Kishimoto, Y. Kawasaki, T. Ohno, Phys. Lett. A 317, 308 (2003);
    Crossref
  7. C. L. Chang, C. L. Dong, C. L. Huang, Y. Y. Chen, J. Appl. Phys. 87, 149 (2000);
    Crossref
  8. B. L. Drake et al., J. Phys.: Condens. Matter 22, 426002 (2010);
    Crossref
  9. V. H. Tran, J.-C. Griveau, R. Eloirdi, E. Colineau, Phys. Rev. B 89, 054424 (2014);
    Crossref
  10. Y. Utsumi et al., Phys. Rev. B 86, 115114 (2014);
    Crossref
  11. T. Toliński, A. Kowalczyk, M. Pugaczowa-Michalska, G. Chełkowska, J. Phys.: Condens. Matter 15, 1397 (2003);
    Crossref
  12. V. N. Antonov, L. V. Bekenov, A. N. Yaresko, Adv. Cond. Matter Phys. 2011, 298928 (2011);
    Crossref
  13. P. Fulde, Ann. Phys. 509, 178 (1997);
    Crossref
  14. E. J. W. Verwey, P. W. Haayman, Physica 8, 979 (1941);
    Crossref
  15. V. N. Antonov, B. N. Harmon, V. P. Antropov, A. Y. Perlov, A. N. Yaresko, Phys. Rev. B 64, 134410 (2001);
    Crossref
  16. I. Leonov, A. N. Yaresko, V. N. Antonov, M. A. Korotin, V. I. Anisimov, Phys. Rev. Lett. 93, 146404 (2004);
    Crossref
  17. O. I. Bodak, I. R. Mokra, in: Proc. of the III All-Union Conference on Crystal Chemistry of Intermetallic Compounds (Vyshcha shkola, Lviv, 1978), p. 66.
  18. I. D. Shcherba {em et al.}, J. Electron Spectrosc. Relat. Phenom. 131, 125 (2003);
    Crossref
  19. I. D. Shcherba, V. M. Antonov, B. Ya. Kotur, J. Alloys Compd. 242, 58 (1996);
    Crossref
  20. O. K. Andersen, Phys. Rev. B 12, 3060 (1975);
    Crossref
  21. V. V. Nemoshkalenko et al. Phys. Status Solidi B 120, 283 (1983);
    Crossref
  22. V. N. Antonov, A. Y. Perlov, A. P. Shpak, A. N. Yaresko, J. Magn. Magn. Mater. 146, 205 (1995);
    Crossref
  23. P. E. Blöchl, O. Jepsen, O.K. Andersen, Phys. Rev. B 49, 16223 (1994);
    Crossref
  24. J. L. Campbell, T. Parr, At. Data Nucl. Data Tables 77, 1 (2001).
  25. F. K. Richtmyer, S. W. Barnes, E. Ramberg, Phys. Rev. 64, 843 (1934);
    Crossref
  26. A. N. Yaresko, V. N. Antonov, P. Fulde, Phys. Rev. B 67, 155103 (2003);
    Crossref
  27. M. Koterlin, B. Morokhivski, I. Shcherba, J. Serb. Chem. Soc. 56, 733 (1991).
  28. N. B. Brandt, V. V. Moshchalkov, Adv. Phys. 33, 193 (1984);
    Crossref