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Title: Columnar-to-Disk Structural Transition in Nanoscale (SiO2)N Clusters
Author: Bromley, Stefan Thomas
Flikkema, Edwin
Keywords: Nanoestructures
Issue Date: 28-Oct-2005
Publisher: American Physical Society
Abstract: 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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It is part of: Physical Review Letters, 2005, vol. 95, num. 18, p. 185505
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ISSN: 0031-9007
Appears in Collections:Articles publicats en revistes (Ciència dels Materials i Química Física)

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