| Item type |
学術雑誌論文 / Journal Article(1) |
| 公開日 |
2010-10-29 |
| タイトル |
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|
タイトル |
Energetics of Mg and B adsorption on polar zinc oxide surfaces from first principles |
| 資源タイプ |
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資源タイプ識別子 |
http://purl.org/coar/resource_type/c_6501 |
|
資源タイプ |
journal article |
| 著者 |
Nishidate, Kazume
Yoshizawa, Masahito
Hasegawa, Masayuki
|
| 著者(機関) |
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|
値 |
Faculty of Engineering, Iwate University |
| 登録日 |
|
|
日付 |
2010-10-29 |
| 書誌情報 |
Physical Review B
巻 77,
号 3,
p. 035330,
発行日 2008-01-28
|
| ISSN |
|
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収録物識別子タイプ |
ISSN |
|
収録物識別子 |
1098-0121 |
| Abstract |
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内容記述タイプ |
Other |
|
内容記述 |
We have performed first-principles density-functional projector augmented-wave calculations to investigate the energetics of Mg and B adsorption on polar zinc oxide (ZnO) surfaces, thereby to understand the origin of the peculiar affinities between an epitaxial MgB_2 film and the ZnO substrate. We found that the (0001) Zn surface is relatively inert, while the (0001̅ ) O surface is very reactive in the adsorption of atomic species, where a triplaner BO_3 (a hump of MgO_3) binding unit is formed as a consequence of the B (Mg) atom adsorption on the surface. These binding units would be formed at an early stage in the epitaxial growth of MgB_2 film on the ZnO substrate, and subsequently lead to the formation of the reaction products that were recently found in the interface between the MgB_2 film and the ZnO substrate. |
| 出版者 |
|
|
出版者 |
American Physical Society |
| 権利 |
|
|
権利情報 |
(c) 2008 The American Physical Society |
| DOI |
|
|
関連タイプ |
isIdenticalTo |
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|
識別子タイプ |
DOI |
|
|
関連識別子 |
10.1103/PhysRevB.77.035330 |
| 著者版フラグ |
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|
出版タイプ |
VoR |
|
出版タイプResource |
http://purl.org/coar/version/c_970fb48d4fbd8a85 |
prb-v77i3p035330.pdf (1.6 MB)
