Columnar-to-Disk Structural Transition in Nanoscale (SiO2)N Clusters
Extensive large-scale global optimizations refined by ab initio calculations are used to propose ( SiO 2 ) N N = 14 - 27 ground states. For N < 23 clusters are columnar and show N − odd - N − even stability, energetically and electronically. At N = 23 a columnar-to-disk structural transition occu...
| Autores: | , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2005 |
| País: | España |
| Institución: | Universidad de Barcelona |
| Repositorio: | Dipòsit Digital de la UB |
| OAI Identifier: | oai:diposit.ub.edu:2445/134282 |
| Acceso en línea: | https://hdl.handle.net/2445/134282 |
| Access Level: | acceso abierto |
| Palabra clave: | Nanoestructures Nanotecnologia Nanostructures Nanotechnology |
| Sumario: | Extensive large-scale global optimizations refined by ab initio calculations are used to propose ( SiO 2 ) N N = 14 - 27 ground states. For N < 23 clusters are columnar and show N − odd - N − even stability, energetically and electronically. At N = 23 a columnar-to-disk structural transition occurs reminiscent of that observed for Si N . These transitions differ in nature but have the same basis, linking the nanostructural behavior of an element (Si) and its oxide ( SiO 2 ). Considering the impact of devices based on the nanoscale manipulation of Si / SiO 2 the result is of potential technological importance. |
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