TY  - CONF
AU  - Shcherba, Ivan D.
AU  - Uskoković, Dragan
AU  - Sacharevych, M.
AU  - Jatcyk, Bohdan M.
PY  - 2014
UR  - https://dais.sanu.ac.rs/123456789/559
AB  - The valence band electronic structure of compounds with the HfFe2S2 crystal lattice type has been established for the first time based on X-ray emission spectroscopy measurements. Band structure and theoretical spectra of X-ray emission bands of atoms located in non-equivalent crystallographic positions are calculated by means of the LMTO method. A satisfactory agreement between theoretical and experimental data is achieved. As it can be seen from the performed calculations and experimental data, the s-states of Si hybridize with the p-states Sc (Hf) and Fe and are located at the bottom of valence band. Contribution of the s-symmetry electrons to the chemical bond is substantially different for Si atoms located in non-equivalent crystallographic positions. 57Fe Mossbauer absorption measurements confirm iron atoms occupying non-equivalent positions in the crystal lattice.
PB  - Belgrade : Materials Research Society of Serbia
C3  - The Sixteenth Annual Conference YUCOMAT 2014: Programme and the Book of Abstracts
T1  - X-ray emission and Mossbauer spectra and electronic structure of ScFe2Si2 and HfFe2S2compounds
SP  - 93
EP  - 93
UR  - https://hdl.handle.net/21.15107/rcub_dais_559
ER  - 

@conference{
author = "Shcherba, Ivan D. and Uskoković, Dragan and Sacharevych, M. and Jatcyk, Bohdan M.",
year = "2014",
abstract = "The valence band electronic structure of compounds with the HfFe2S2 crystal lattice type has been established for the first time based on X-ray emission spectroscopy measurements. Band structure and theoretical spectra of X-ray emission bands of atoms located in non-equivalent crystallographic positions are calculated by means of the LMTO method. A satisfactory agreement between theoretical and experimental data is achieved. As it can be seen from the performed calculations and experimental data, the s-states of Si hybridize with the p-states Sc (Hf) and Fe and are located at the bottom of valence band. Contribution of the s-symmetry electrons to the chemical bond is substantially different for Si atoms located in non-equivalent crystallographic positions. 57Fe Mossbauer absorption measurements confirm iron atoms occupying non-equivalent positions in the crystal lattice.",
publisher = "Belgrade : Materials Research Society of Serbia",
journal = "The Sixteenth Annual Conference YUCOMAT 2014: Programme and the Book of Abstracts",
title = "X-ray emission and Mossbauer spectra and electronic structure of ScFe2Si2 and HfFe2S2compounds",
pages = "93-93",
url = "https://hdl.handle.net/21.15107/rcub_dais_559"
}

Shcherba, I. D., Uskoković, D., Sacharevych, M.,& Jatcyk, B. M.. (2014). X-ray emission and Mossbauer spectra and electronic structure of ScFe2Si2 and HfFe2S2compounds. in The Sixteenth Annual Conference YUCOMAT 2014: Programme and the Book of Abstracts
Belgrade : Materials Research Society of Serbia., 93-93.
https://hdl.handle.net/21.15107/rcub_dais_559

Shcherba ID, Uskoković D, Sacharevych M, Jatcyk BM. X-ray emission and Mossbauer spectra and electronic structure of ScFe2Si2 and HfFe2S2compounds. in The Sixteenth Annual Conference YUCOMAT 2014: Programme and the Book of Abstracts. 2014;:93-93.
https://hdl.handle.net/21.15107/rcub_dais_559 .

Shcherba, Ivan D., Uskoković, Dragan, Sacharevych, M., Jatcyk, Bohdan M., "X-ray emission and Mossbauer spectra and electronic structure of ScFe2Si2 and HfFe2S2compounds" in The Sixteenth Annual Conference YUCOMAT 2014: Programme and the Book of Abstracts (2014):93-93,
https://hdl.handle.net/21.15107/rcub_dais_559 .