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Zhak, Olga

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  • Zhak, Olga (2)
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Crystal structure and X-Ray spectroscopic properties of R.E.2Ni12P5 compounds

Scherba, Ivan; Noga, Henrik; Antonov, Viktor; Zhak, Olga; Uskoković, Dragan; Jatcyk, Bohdan M.

(Belgrade : Materials Research Society of Serbia, 2018)

TY  - CONF
AU  - Scherba, Ivan
AU  - Noga, Henrik
AU  - Antonov, Viktor
AU  - Zhak, Olga
AU  - Uskoković, Dragan
AU  - Jatcyk, Bohdan M.
PY  - 2018
UR  - http://dais.sanu.ac.rs/123456789/3668
AB  - We have studied experimentally and theoretically the electronic structure and x-ray absorption spectrum at the R.E.L3 - edge and x-ray emission spectra of Ni and P in the R.E.2Ni12P5 compounds. Crystal structure of the ternary phosphate Ce2Ni12P5 has been refined using X-ray powder diffraction pattern of the single phase sample with the same nominal composition, and the isotopic structure as for earlier known La2Ni12P5-type has been proved: space group P21/m, formula units Z = 2, lattice parameters are a = 1.07809(2) nm, b = 0.36869(1) nm, c = 1.31490(3) nm, b = 107.776(4), residual R-values are RI = 0.0681, RP = 0.0442 , RwP = 0.0603. The theoretical calculations have been carried out by means of the ab initio fully-relativistic spinpolarized Dirac linear muffin-tin orbital method. The calculations show good agreement with the experimental measurements. R.E.LIII - absorption spectra in ternary R.E.2Ni12P5 compounds were obtained at 78K and 300K using a tube spectrometer equipped with an RKD-01 co-ordinate detector. The mixed valence state of Ce and Eu was obtained in the Ce2Ni12P5 and Eu2Ni12P5 compounds.
PB  - Belgrade : Materials Research Society of Serbia
C3  - Programme and The Book of Abstracts / Twentieth Annual Conference YUCOMAT 2018, Herceg Novi, September 3-7, 2018
T1  - Crystal structure and X-Ray spectroscopic properties of R.E.2Ni12P5 compounds
SP  - 109
EP  - 109
ER  - 
@conference{
author = "Scherba, Ivan and Noga, Henrik and Antonov, Viktor and Zhak, Olga and Uskoković, Dragan and Jatcyk, Bohdan M.",
year = "2018",
url = "http://dais.sanu.ac.rs/123456789/3668",
abstract = "We have studied experimentally and theoretically the electronic structure and x-ray absorption spectrum at the R.E.L3 - edge and x-ray emission spectra of Ni and P in the R.E.2Ni12P5 compounds. Crystal structure of the ternary phosphate Ce2Ni12P5 has been refined using X-ray powder diffraction pattern of the single phase sample with the same nominal composition, and the isotopic structure as for earlier known La2Ni12P5-type has been proved: space group P21/m, formula units Z = 2, lattice parameters are a = 1.07809(2) nm, b = 0.36869(1) nm, c = 1.31490(3) nm, b = 107.776(4), residual R-values are RI = 0.0681, RP = 0.0442 , RwP = 0.0603. The theoretical calculations have been carried out by means of the ab initio fully-relativistic spinpolarized Dirac linear muffin-tin orbital method. The calculations show good agreement with the experimental measurements. R.E.LIII - absorption spectra in ternary R.E.2Ni12P5 compounds were obtained at 78K and 300K using a tube spectrometer equipped with an RKD-01 co-ordinate detector. The mixed valence state of Ce and Eu was obtained in the Ce2Ni12P5 and Eu2Ni12P5 compounds.",
publisher = "Belgrade : Materials Research Society of Serbia",
journal = "Programme and The Book of Abstracts / Twentieth Annual Conference YUCOMAT 2018, Herceg Novi, September 3-7, 2018",
title = "Crystal structure and X-Ray spectroscopic properties of R.E.2Ni12P5 compounds",
pages = "109-109"
}
Scherba, I., Noga, H., Antonov, V., Zhak, O., Uskoković, D.,& Jatcyk, B. M. (2018). Crystal structure and X-Ray spectroscopic properties of R.E.2Ni12P5 compounds.
Programme and The Book of Abstracts / Twentieth Annual Conference YUCOMAT 2018, Herceg Novi, September 3-7, 2018Belgrade : Materials Research Society of Serbia., null, 109-109. 
Scherba I, Noga H, Antonov V, Zhak O, Uskoković D, Jatcyk BM. Crystal structure and X-Ray spectroscopic properties of R.E.2Ni12P5 compounds. Programme and The Book of Abstracts / Twentieth Annual Conference YUCOMAT 2018, Herceg Novi, September 3-7, 2018. 2018;:109-109

Electronic structure and X-ray spectroscopic properties of YbNi2P2

Shcherba, Ivan D.; Bekenov, L. V.; Antonov, V. N.; Noga, Henrik; Uskoković, Dragan; Zhak, Olga; Kovalska, Maria V.

(Elsevier, 2016)

TY  - JOUR
AU  - Shcherba, Ivan D.
AU  - Bekenov, L. V.
AU  - Antonov, V. N.
AU  - Noga, Henrik
AU  - Uskoković, Dragan
AU  - Zhak, Olga
AU  - Kovalska, Maria V.
PY  - 2016
UR  - http://dais.sanu.ac.rs/123456789/16005
AB  - X-ray absorption spectrum at the Yb L3 edge and X-ray emission spectra of Ni and P at the K and L2,3 edges have been studied experimentally and theoretically in the mixed valent compound YbNi2P2 with ThCr2Si2 type crystal structure. The electronic structure of YbNi2P2 is investigated using the fully relativistic Dirac linear muffin-tin orbital (LMTO) band-structure method. The effect of the spin–orbit (SO) interaction and Coulomb repulsion U on the electronic structure of YbNi2P2 is examined in the frame of the LSDA + SO + U method. The core-hole effect in the final states as well as the effect of the electric quadrupole E2 transitions have been investigated. A good agreement between the theory and the experiment was found. Both the trivalent and the divalent Yb ions in YbNi2P2 are reflected in the experimentally measured Yb L3 X-ray absorption spectrum simultaneously. We found that the best agreement between the experimental spectrum and sum of the theoretically calculated Yb2+ and Yb3+ spectra is achieved with 73% ytterbium ions in 2+ state and 27% ions in 3+ state.
PB  - Elsevier
T2  - Journal of Electron Spectroscopy and Related Phenomena
T1  - Electronic structure and X-ray spectroscopic properties of YbNi2P2
SP  - 5
EP  - 10
VL  - 212
DO  - 10.1016/j.elspec.2016.07.002
ER  - 
@article{
author = "Shcherba, Ivan D. and Bekenov, L. V. and Antonov, V. N. and Noga, Henrik and Uskoković, Dragan and Zhak, Olga and Kovalska, Maria V.",
year = "2016",
url = "http://dais.sanu.ac.rs/123456789/16005",
abstract = "X-ray absorption spectrum at the Yb L3 edge and X-ray emission spectra of Ni and P at the K and L2,3 edges have been studied experimentally and theoretically in the mixed valent compound YbNi2P2 with ThCr2Si2 type crystal structure. The electronic structure of YbNi2P2 is investigated using the fully relativistic Dirac linear muffin-tin orbital (LMTO) band-structure method. The effect of the spin–orbit (SO) interaction and Coulomb repulsion U on the electronic structure of YbNi2P2 is examined in the frame of the LSDA + SO + U method. The core-hole effect in the final states as well as the effect of the electric quadrupole E2 transitions have been investigated. A good agreement between the theory and the experiment was found. Both the trivalent and the divalent Yb ions in YbNi2P2 are reflected in the experimentally measured Yb L3 X-ray absorption spectrum simultaneously. We found that the best agreement between the experimental spectrum and sum of the theoretically calculated Yb2+ and Yb3+ spectra is achieved with 73% ytterbium ions in 2+ state and 27% ions in 3+ state.",
publisher = "Elsevier",
journal = "Journal of Electron Spectroscopy and Related Phenomena",
title = "Electronic structure and X-ray spectroscopic properties of YbNi2P2",
pages = "5-10",
volume = "212",
doi = "10.1016/j.elspec.2016.07.002"
}
Shcherba, I. D., Bekenov, L. V., Antonov, V. N., Noga, H., Uskoković, D., Zhak, O.,& Kovalska, M. V. (2016). Electronic structure and X-ray spectroscopic properties of YbNi2P2.
Journal of Electron Spectroscopy and Related PhenomenaElsevier., 212, 5-10. 
https://doi.org/10.1016/j.elspec.2016.07.002
Shcherba ID, Bekenov LV, Antonov VN, Noga H, Uskoković D, Zhak O, Kovalska MV. Electronic structure and X-ray spectroscopic properties of YbNi2P2. Journal of Electron Spectroscopy and Related Phenomena. 2016;212:5-10
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