Effect of oxygen vacancies on adhesion at the Nb/Al2O3 and Ni/ZrO2 interfaces; Physics of the Solid State; Vol. 50, iss. 3
| Parent link: | Physics of the Solid State: Scientific Journal Vol. 50, iss. 3.— 2008.— [P. 543-552] |
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| 第一著者: | |
| その他の著者: | , |
| 要約: | Title screen The atomic and electronic structures of the Nb/Al2O3(0001) and Ni/ZrO2(001) interfaces are calculated using density-functional theory. The formation energy of oxygen vacancies is estimated in bulk materials and in surface layers and interfaces for different uppermost atomic layers of oxide surfaces. The work of separation of metal films from oxide surfaces is determined. The effect of oxygen vacancies on the bonding of transition metals to atoms of a substrate determining adhesion at the metal-oxide interfaces is discussed. It is shown that the Nb(Ni)-O interaction at the interfaces weakens in the presence of surface oxygen vacancies. Режим доступа: по договору с организацией-держателем ресурса |
| 言語: | 英語 |
| 出版事項: |
2008
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| 主題: | |
| オンライン･アクセス: | http://link.springer.com/article/10.1134%2FS1063783408030256 |
| フォーマット: | 電子媒体 図書の章 |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=638907 |
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| 200 | 1 | |a Effect of oxygen vacancies on adhesion at the Nb/Al2O3 and Ni/ZrO2 interfaces |f S. V. Eremeev, L. Yu. Nemirovich-Danchenko, S. E. Kul’kova | |
| 203 | |a Text |c electronic | ||
| 300 | |a Title screen | ||
| 320 | |a [References: p. 552 (17 tit.)] | ||
| 330 | |a The atomic and electronic structures of the Nb/Al2O3(0001) and Ni/ZrO2(001) interfaces are calculated using density-functional theory. The formation energy of oxygen vacancies is estimated in bulk materials and in surface layers and interfaces for different uppermost atomic layers of oxide surfaces. The work of separation of metal films from oxide surfaces is determined. The effect of oxygen vacancies on the bonding of transition metals to atoms of a substrate determining adhesion at the metal-oxide interfaces is discussed. It is shown that the Nb(Ni)-O interaction at the interfaces weakens in the presence of surface oxygen vacancies. | ||
| 333 | |a Режим доступа: по договору с организацией-держателем ресурса | ||
| 461 | |t Physics of the Solid State |o Scientific Journal | ||
| 463 | |t Vol. 50, iss. 3 |v [P. 543-552] |d 2008 | ||
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