X-ray spectroscopy studies of the electronic structure and band-structure calculations of cubic TaCxN1-x carbonitrides
The electronic structure of almost stoichiometric cubic (NaCl structure) tantalum carbonitrides TaCxN₁₋x synthesized under high pressure-high temperature conditions (7-10 GPa and 2100-2400°C) was studied employing X-ray photoelectron spectroscopy (XPS), Xray emission spectroscopy (XES) and X-ray abs...
Gespeichert in:
| Veröffentlicht in: | Физика и техника высоких давлений |
|---|---|
| Datum: | 2006 |
| Hauptverfasser: | , , , , , |
| Format: | Artikel |
| Sprache: | Englisch |
| Veröffentlicht: |
Донецький фізико-технічний інститут ім. О.О. Галкіна НАН України
2006
|
| Online Zugang: | https://nasplib.isofts.kiev.ua/handle/123456789/70268 |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | X-ray spectroscopy studies of the electronic structure and band-structure calculations of cubic TaCxN₁₋x carbonitrides / A.A. Lavrentyev, B.V. Gabrelian, V.B. Vorzhev, I.Ya. Nikiforov, O.Yu. Khyzhun, J.J. Rehr // Физика и техника высоких давлений. — 2006. — Т. 16, № 4. — С. 135-143. — Бібліогр.: 22 назв. — англ. |
Institution
Digital Library of Periodicals of National Academy of Sciences of Ukraine| _version_ | 1862681055244320768 |
|---|---|
| author | Lavrentyev, A.A. Gabrelian, B.V. Vorzhev, V.B. Nikiforov, I.Ya. Khyzhun, O.Yu. Rehr, J.J. |
| author_facet | Lavrentyev, A.A. Gabrelian, B.V. Vorzhev, V.B. Nikiforov, I.Ya. Khyzhun, O.Yu. Rehr, J.J. |
| citation_txt | X-ray spectroscopy studies of the electronic structure and band-structure calculations of cubic TaCxN₁₋x carbonitrides / A.A. Lavrentyev, B.V. Gabrelian, V.B. Vorzhev, I.Ya. Nikiforov, O.Yu. Khyzhun, J.J. Rehr // Физика и техника высоких давлений. — 2006. — Т. 16, № 4. — С. 135-143. — Бібліогр.: 22 назв. — англ. |
| collection | DSpace DC |
| container_title | Физика и техника высоких давлений |
| description | The electronic structure of almost stoichiometric cubic (NaCl structure) tantalum carbonitrides TaCxN₁₋x synthesized under high pressure-high temperature conditions (7-10 GPa and 2100-2400°C) was studied employing X-ray photoelectron spectroscopy (XPS), Xray emission spectroscopy (XES) and X-ray absorption spectroscopy (XAS). The XPS valence-band and core-level spectra, the XES Ta Lβ ₅, C Kα and N Kα bands (reflecting energy distributions of mainly the Ta 5d-, C 2p- and N 2p-like states, respectively), as well as the XAS Ta LIII edges (unoccupied Ta d-like states) were derived and compared on a common energy scale for the compounds TaC₀.₉₈, TaC₀.₅₂N₀.₄₉ and TaN₀.₉₇ obtained under the mentioned high pressure-high temperature conditions. To investigate the influence of substitution of carbon atoms by nitrogen in the cubic TaCxN₁₋x system, the cluster self-consistent calculations of the electron density of states for cubic TaC, TaC₀.₅N₀.₅ and TaN compounds were carried out with the FEFF8 code. In the present work a rather good agreement of the experimental and theoretical results for the electronic structure of the TaCxN₁₋x system under consideration was obtained.
|
| first_indexed | 2025-12-07T15:48:46Z |
| format | Article |
| fulltext | |
| id | nasplib_isofts_kiev_ua-123456789-70268 |
| institution | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| issn | 0868-5924 |
| language | English |
| last_indexed | 2025-12-07T15:48:46Z |
| publishDate | 2006 |
| publisher | Донецький фізико-технічний інститут ім. О.О. Галкіна НАН України |
| record_format | dspace |
| spelling | Lavrentyev, A.A. Gabrelian, B.V. Vorzhev, V.B. Nikiforov, I.Ya. Khyzhun, O.Yu. Rehr, J.J. 2014-11-01T16:28:45Z 2014-11-01T16:28:45Z 2006 X-ray spectroscopy studies of the electronic structure and band-structure calculations of cubic TaCxN₁₋x carbonitrides / A.A. Lavrentyev, B.V. Gabrelian, V.B. Vorzhev, I.Ya. Nikiforov, O.Yu. Khyzhun, J.J. Rehr // Физика и техника высоких давлений. — 2006. — Т. 16, № 4. — С. 135-143. — Бібліогр.: 22 назв. — англ. 0868-5924 PACS: 78.70.Dm, 78.70.En, 79.60.−i, 82.80.Pv https://nasplib.isofts.kiev.ua/handle/123456789/70268 The electronic structure of almost stoichiometric cubic (NaCl structure) tantalum carbonitrides TaCxN₁₋x synthesized under high pressure-high temperature conditions (7-10 GPa and 2100-2400°C) was studied employing X-ray photoelectron spectroscopy (XPS), Xray emission spectroscopy (XES) and X-ray absorption spectroscopy (XAS). The XPS valence-band and core-level spectra, the XES Ta Lβ ₅, C Kα and N Kα bands (reflecting energy distributions of mainly the Ta 5d-, C 2p- and N 2p-like states, respectively), as well as the XAS Ta LIII edges (unoccupied Ta d-like states) were derived and compared on a common energy scale for the compounds TaC₀.₉₈, TaC₀.₅₂N₀.₄₉ and TaN₀.₉₇ obtained under the mentioned high pressure-high temperature conditions. To investigate the influence of substitution of carbon atoms by nitrogen in the cubic TaCxN₁₋x system, the cluster self-consistent calculations of the electron density of states for cubic TaC, TaC₀.₅N₀.₅ and TaN compounds were carried out with the FEFF8 code. In the present work a rather good agreement of the experimental and theoretical results for the electronic structure of the TaCxN₁₋x system under consideration was obtained. The authors thank Prof. V.B. Shipilo and Dr E.M. Gololobov (Institute of Solid State Physics and Semiconductors, National Academy of Sciences of Belarus, Minsk, Belarus Republuc) and Dr. V.A. Kolyagin (Institute of Physical Chemistry, Russian Academy of Sciences, Moscow, Russian Federation) for synthesis of the test TaCxN~1−x samples. en Донецький фізико-технічний інститут ім. О.О. Галкіна НАН України Физика и техника высоких давлений X-ray spectroscopy studies of the electronic structure and band-structure calculations of cubic TaCxN1-x carbonitrides Article published earlier |
| spellingShingle | X-ray spectroscopy studies of the electronic structure and band-structure calculations of cubic TaCxN1-x carbonitrides Lavrentyev, A.A. Gabrelian, B.V. Vorzhev, V.B. Nikiforov, I.Ya. Khyzhun, O.Yu. Rehr, J.J. |
| title | X-ray spectroscopy studies of the electronic structure and band-structure calculations of cubic TaCxN1-x carbonitrides |
| title_full | X-ray spectroscopy studies of the electronic structure and band-structure calculations of cubic TaCxN1-x carbonitrides |
| title_fullStr | X-ray spectroscopy studies of the electronic structure and band-structure calculations of cubic TaCxN1-x carbonitrides |
| title_full_unstemmed | X-ray spectroscopy studies of the electronic structure and band-structure calculations of cubic TaCxN1-x carbonitrides |
| title_short | X-ray spectroscopy studies of the electronic structure and band-structure calculations of cubic TaCxN1-x carbonitrides |
| title_sort | x-ray spectroscopy studies of the electronic structure and band-structure calculations of cubic tacxn1-x carbonitrides |
| url | https://nasplib.isofts.kiev.ua/handle/123456789/70268 |
| work_keys_str_mv | AT lavrentyevaa xrayspectroscopystudiesoftheelectronicstructureandbandstructurecalculationsofcubictacxn1xcarbonitrides AT gabrelianbv xrayspectroscopystudiesoftheelectronicstructureandbandstructurecalculationsofcubictacxn1xcarbonitrides AT vorzhevvb xrayspectroscopystudiesoftheelectronicstructureandbandstructurecalculationsofcubictacxn1xcarbonitrides AT nikiforoviya xrayspectroscopystudiesoftheelectronicstructureandbandstructurecalculationsofcubictacxn1xcarbonitrides AT khyzhunoyu xrayspectroscopystudiesoftheelectronicstructureandbandstructurecalculationsofcubictacxn1xcarbonitrides AT rehrjj xrayspectroscopystudiesoftheelectronicstructureandbandstructurecalculationsofcubictacxn1xcarbonitrides |