e-Journal of Surface Science and Nanotechnology
Online ISSN : 1348-0391
ISSN-L : 1348-0391
Superexpress Letters
Ab Initio Study of Al Atomic Chains with Na Impurity Atom
Shinnosuke FuruyaYoshihiro GohdaSatoshi Watanabe
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JOURNAL FREE ACCESS

2006 Volume 4 Pages 570-573

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Abstract

We have carried out ab initio calculations on the electrical properties of Al chains with a substitutional Na impurity, focusing on the potential drop due to the applied bias voltage. Besides the expected electric current reduction by the introduction of Na impurity, we have found that the effective potential almost drops at the Na atom position wherever Na atom is located. This behavior is maintained when the applied bias voltage is increased. These results can be understood from the strength of interactions between atoms and between atom and electrode. [DOI: 10.1380/ejssnt.2006.570]

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この記事はクリエイティブ・コモンズ [表示 4.0 国際]ライセンスの下に提供されています。
https://creativecommons.org/licenses/by/4.0/deed.ja
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