Columnar-to-disk structural transition in nanoscale (SiO2)(N) clusters

Stefan T. Bromley; Edwin Flikkema

doi:10.1103/PhysRevLett.95.185505

Columnar-to-disk structural transition in nanoscale (SiO2)(N) clusters

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Columnar-to-disk structural transition in nanoscale (SiO2)(N) clusters. / Bromley, Stefan T.; Flikkema, Edwin.

In: Physical Review Letters, Vol. 95, No. 18, 185505, 28.10.2005.

Research output: Contribution to journal › Article › peer-review

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@article{6667a0ffc6534f71a6b27b07b4340293,

title = "Columnar-to-disk structural transition in nanoscale (SiO2)(N) clusters",

abstract = "Extensive large-scale global optimizations refined by ab initio calculations are used to propose (SiO2)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 (SiO2). Considering the impact of devices based on the nanoscale manipulation of Si/SiO2 the result is of potential technological importance.",

author = "Bromley, {Stefan T.} and Edwin Flikkema",

note = "Bromley, S. T., Flikkema, E. (2005) 'Columnar-to-disk structural transition in nanoscale (SiO2)(N) clusters'. Physical Review Letters 95 (18), article no: 185505 RAE2008",

year = "2005",

month = oct,

day = "28",

doi = "10.1103/PhysRevLett.95.185505",

language = "English",

volume = "95",

journal = "Physical Review Letters",

issn = "0031-9007",

publisher = "American Physical Society",

number = "18",

}

RIS (suitable for import to EndNote) - Download

TY - JOUR

T1 - Columnar-to-disk structural transition in nanoscale (SiO2)(N) clusters

AU - Bromley, Stefan T.

AU - Flikkema, Edwin

N1 - Bromley, S. T., Flikkema, E. (2005) 'Columnar-to-disk structural transition in nanoscale (SiO2)(N) clusters'. Physical Review Letters 95 (18), article no: 185505 RAE2008

PY - 2005/10/28

Y1 - 2005/10/28

N2 - Extensive large-scale global optimizations refined by ab initio calculations are used to propose (SiO2)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 (SiO2). Considering the impact of devices based on the nanoscale manipulation of Si/SiO2 the result is of potential technological importance.

AB - Extensive large-scale global optimizations refined by ab initio calculations are used to propose (SiO2)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 (SiO2). Considering the impact of devices based on the nanoscale manipulation of Si/SiO2 the result is of potential technological importance.

U2 - 10.1103/PhysRevLett.95.185505

DO - 10.1103/PhysRevLett.95.185505

M3 - Article

VL - 95

JO - Physical Review Letters

JF - Physical Review Letters

SN - 0031-9007

IS - 18

M1 - 185505

ER -

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