dc.creator | Shcherba, Ivan D. | |
dc.creator | Uskoković, Dragan | |
dc.creator | Sacharevych, M. | |
dc.creator | Jatcyk, Bohdan M. | |
dc.date.accessioned | 2017-06-10T15:45:07Z | |
dc.date.issued | 2014 | |
dc.identifier.uri | https://dais.sanu.ac.rs/123456789/559 | |
dc.description.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. | en |
dc.format | (2014) 93-93 | |
dc.format | application/pdf | |
dc.language | en | |
dc.publisher | Belgrade : Materials Research Society of Serbia | |
dc.rights | openAccess | |
dc.rights.uri | https://creativecommons.org/licenses/by-nc-nd/4.0/ | |
dc.source | The Sixteenth Annual Conference YUCOMAT 2014: Programme and the Book of Abstracts | en |
dc.subject | ScFe2Si2 | |
dc.subject | HfFe2S2 | |
dc.subject | X-ray emission | |
dc.subject | Mossbauer spectra | |
dc.title | X-ray emission and Mossbauer spectra and electronic structure of ScFe2Si2 and HfFe2S2compounds | en |
dc.type | conferenceObject | |
dc.rights.license | BY-NC-ND | |
dcterms.abstract | Јатцyк, Б. М.; Ускоковић, Драган; Схцхерба, Иван; Сацхаревyцх, М.; | |
dc.citation.spage | 93 | |
dc.citation.epage | 93 | |
dc.type.version | publishedVersion | |
dc.identifier.fulltext | https://dais.sanu.ac.rs/bitstream/id/21539/556.pdf | |
dc.identifier.rcub | https://hdl.handle.net/21.15107/rcub_dais_559 | |