Silicon adsorption on the (111) surface of TiN, AlN and TaN compounds; AIP Conference Proceedings; Vol. 2899, iss. 1 : Physical Mesomechanics of Condensed Matter: Physical Principles of Multiscale Structure Formation and the Mechanisms of Nonlinear Behavior (MESO 2022)
| Parent link: | AIP Conference Proceedings.— .— New York: AIP Publishing.— 0094-243X Vol. 2899, iss. 1 : Physical Mesomechanics of Condensed Matter: Physical Principles of Multiscale Structure Formation and the Mechanisms of Nonlinear Behavior (MESO 2022).— 2023.— Article number 020080, 6 p. |
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| Altri autori: | , |
| Riassunto: | Title screen The interaction of a Si atom with the (111) surface of AlN, TiN, and TaN compounds has been studied using ab initio calculations. The most energetically favorable adsorption positions of Si atoms were found to be FCC and HCP holes. It was shown that silicon atoms have the highest binding energies on the AlN(111) and TiN(111) surfaces terminated by nitrogen atoms and on the TaN(111) surface terminated by tantalum. The valence electron density distribution has been studied to identify the type of Si atom bond with the (111) surface of AlN, TiN, and TaN compounds Текстовый файл AM_Agreement |
| Lingua: | inglese |
| Pubblicazione: |
2023
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| Accesso online: | https://doi.org/10.1063/5.0162851 |
| Natura: | Elettronico Capitolo di libro |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=680118 |
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| 200 | 1 | |a Silicon adsorption on the (111) surface of TiN, AlN and TaN compounds |f Yury Koroteev, Leonid Svyatkin, Sergey Ognev | |
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| 330 | |a The interaction of a Si atom with the (111) surface of AlN, TiN, and TaN compounds has been studied using ab initio calculations. The most energetically favorable adsorption positions of Si atoms were found to be FCC and HCP holes. It was shown that silicon atoms have the highest binding energies on the AlN(111) and TiN(111) surfaces terminated by nitrogen atoms and on the TaN(111) surface terminated by tantalum. The valence electron density distribution has been studied to identify the type of Si atom bond with the (111) surface of AlN, TiN, and TaN compounds | ||
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| 701 | 1 | |a Svyatkin |b L. A. |c physicist |c Associate Professor of Tomsk Polytechnic University, Candidate of Physical and Mathematical Sciences |f 1988- |g Leonid Aleksandrovich |9 17747 | |
| 701 | 1 | |a Ognev |b S. O. |c Specialist in the field of nuclear technologies |c Engineer of Tomsk Polytechnic University |f 1999- |g Sergey Olegovich |9 22797 | |
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