Structural Stability and Electronic and Optical Properties of Coinage-Metal (4, 2) Alloy Nanotubes: A First-Principles Study
| العنوان: | Structural Stability and Electronic and Optical Properties of Coinage-Metal (4, 2) Alloy Nanotubes: A First-Principles Study |
|---|---|
| المؤلفون: | Xue-ling Lin, Liang-Cai Ma, Ling Ma, Jian-Min Zhang, Xi-Zhi Wang |
| المصدر: | Journal of the Korean Physical Society. 74:555-562 |
| بيانات النشر: | Korean Physical Society, 2019. |
| سنة النشر: | 2019 |
| مصطلحات موضوعية: | 010302 applied physics, Materials science, Tension (physics), Alloy, Binding energy, General Physics and Astronomy, 02 engineering and technology, engineering.material, 021001 nanoscience & nanotechnology, 01 natural sciences, String (physics), Metal, Structural stability, Chemical physics, visual_art, 0103 physical sciences, engineering, visual_art.visual_art_medium, 0210 nano-technology, Relativistic quantum chemistry, Bimetallic strip |
| الوصف: | Using first-principles calculations, we have systematically investigated the structural stability and the electronic and optical properties of bimetallic Ag−Au, Cu−Au, and Cu−Ag (4, 2) alloy nanotubes (NTs). We found that the tip-suspended Ag−Au and Cu−Au alloy NTs were stable structures due to the existence of local minima in both the binding energies and the string tensions variation with their unit-cell lengths and that the stability was enhanced when the content of Au was increased. However, a tip-suspended Cu−Ag alloy NT would be difficult to form in future experiments. We also found that both the relativistic effect of elemental gold and the string tension applied by the tip contacts play important roles in suppressing effectively the self-purification effect, leading to the formation of these coinage alloy NTs. The quantum conductance of the stable alloy NTs is increased by 1G0 as compared with that of the corresponding pure coinage-metal NTs. |
| تدمد: | 1976-8524 0374-4884 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_________::1c07dcec91a2d46212b33113672e2818 https://doi.org/10.3938/jkps.74.555 |
| حقوق: | CLOSED |
| رقم الأكسشن: | edsair.doi...........1c07dcec91a2d46212b33113672e2818 |
| قاعدة البيانات: | OpenAIRE |
Find this article in full text from Springer Verlag. | تدمد: | 19768524 03744884 |
|---|