Silicon adsorption on the (111) surface of TiN, AlN and TaN compounds
| Parent link: | AIP Conference Proceedings.— .— New York: AIP Publishing.— 0094-243X |
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| Egile nagusia: | |
| Beste egile batzuk: | , |
| Gaia: | 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 |
| Hizkuntza: | ingelesa |
| Argitaratua: |
2023
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| Sarrera elektronikoa: | https://doi.org/10.1063/5.0162851 |
| Formatua: | Baliabide elektronikoa Liburu kapitulua |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=680118 |
| Gaia: | 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 |
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| DOI: | 10.1063/5.0162851 |