Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | 조준형 | - |
dc.date.accessioned | 2020-10-26T07:32:06Z | - |
dc.date.available | 2020-10-26T07:32:06Z | - |
dc.date.issued | 2019-11 | - |
dc.identifier.citation | PHYSICS LETTERS A, v. 384, no. 8, article no. 126183 | en_US |
dc.identifier.issn | 0375-9601 | - |
dc.identifier.issn | 1873-2429 | - |
dc.identifier.uri | https://www.sciencedirect.com/science/article/pii/S037596011931117X?via%3Dihub | - |
dc.identifier.uri | https://repository.hanyang.ac.kr/handle/20.500.11754/154935 | - |
dc.description.abstract | Recently, 1D Au single atom chains (SAC) were artificially constructed on the NiAl(110) surface in experiment, which has stimulated various experimental and theoretical investigations on its potential applications such as in microelectronics and catalysis. Here, we reexamine their relative stabilities and formation mechanism on NiAl(110) using first-principles calculations. We reveal that in the range of N = 2 similar to 6, the formation of SAC is energetically more stable than that of 1D Au bi-atom chains (BAC), mainly due to the electronic quantum confinement effects. However, beyond N = 6, BAC are found to be energetically favored over SAC due to the energy gain of Au-Au bonding. The present findings reveal the importance of the competition between electronic quantum confinement, the adatom-adatom interactions, and adatom-substrate interactions in formation of the desirable 1D nanostructures. (C) 2019 Elsevier B.V. All rights reserved. | en_US |
dc.description.sponsorship | This work was supported by the NSF of China (Grants No. 11674289, 11704342, and 11804306), National Research Foundation of Korea grant funded by the Korean Government (Grant Nos. 2015M3D1A1070639 and 2016K1A4A3914691), and Postdoctoral Innovation Talents Support Program BX201700025. The calculations were performed on the Supercomputer Center in Zhengzhou University (Zhengzhou), Zhengzhou University, Henan. | en_US |
dc.language.iso | en | en_US |
dc.publisher | ELSEVIER SCIENCE BV | en_US |
dc.subject | One dimensional Au nanostructures | en_US |
dc.subject | Single-atom chain | en_US |
dc.subject | Double-atom chain | en_US |
dc.subject | Phase transition | en_US |
dc.subject | NiAl(110) substrate | en_US |
dc.subject | First-principles calculations | en_US |
dc.title | Phase transition of nanoscale Au atom chains on NiAl(110) | en_US |
dc.type | Article | en_US |
dc.identifier.doi | 10.1016/j.physleta.2019.126183 | - |
dc.relation.page | 126183-126183 | - |
dc.relation.journal | PHYSICS LETTERS A | - |
dc.contributor.googleauthor | Yi, Bei-bei | - |
dc.contributor.googleauthor | Pang, Rui | - |
dc.contributor.googleauthor | Ren, Xiaoyan | - |
dc.contributor.googleauthor | Guo, Haizhong | - |
dc.contributor.googleauthor | Shang, Yuan | - |
dc.contributor.googleauthor | Duan, Xiangmei | - |
dc.contributor.googleauthor | Cho, Jun-Hyung | - |
dc.contributor.googleauthor | Li, Shunfang | - |
dc.relation.code | 2019000429 | - |
dc.sector.campus | S | - |
dc.sector.daehak | COLLEGE OF NATURAL SCIENCES[S] | - |
dc.sector.department | DEPARTMENT OF PHYSICS | - |
dc.identifier.pid | chojh | - |
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