Possible Lowest-Energy Geometry of Silicon Clusters Si21 and Si25

Soohaeng Yoo; Xiao Cheng Zeng; Xiaolei Zhu; Jaeil Bai

doi:10.1021/ja0365678

Possible Lowest-Energy Geometry of Silicon Clusters Si₂₁ and Si₂₅

Soohaeng Yoo, Xiao Cheng Zeng, Xiaolei Zhu, Jaeil Bai

Chemistry

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

76 Scopus citations

Abstract

Possible lowest-energy structures of Si₂₁ and Si₂₅ are found on the basis of the starting structures obtained via the global search for nearly identical low-energy Stillinger?Weber (SW) and modified-SW structures. The fact that the lowest-energy structures are spherical-like may suggest that the prolate-to-spherical-like structural transition for the silicon cluster Si_n is likely to occur in the range of 21 < n < 25.

Original language	English (US)
Pages (from-to)	13318-13319
Number of pages	2
Journal	Journal of the American Chemical Society
Volume	125
Issue number	44
DOIs	https://doi.org/10.1021/ja0365678
State	Published - Nov 5 2003

ASJC Scopus subject areas

Catalysis
General Chemistry
Biochemistry
Colloid and Surface Chemistry

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abstract = "Possible lowest-energy structures of Si21 and Si25 are found on the basis of the starting structures obtained via the global search for nearly identical low-energy Stillinger?Weber (SW) and modified-SW structures. The fact that the lowest-energy structures are spherical-like may suggest that the prolate-to-spherical-like structural transition for the silicon cluster Sin is likely to occur in the range of 21 < n < 25.",

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AU - Yoo, Soohaeng

AU - Zeng, Xiao Cheng

AU - Zhu, Xiaolei

AU - Bai, Jaeil

PY - 2003/11/5

Y1 - 2003/11/5

N2 - Possible lowest-energy structures of Si21 and Si25 are found on the basis of the starting structures obtained via the global search for nearly identical low-energy Stillinger?Weber (SW) and modified-SW structures. The fact that the lowest-energy structures are spherical-like may suggest that the prolate-to-spherical-like structural transition for the silicon cluster Sin is likely to occur in the range of 21 < n < 25.

AB - Possible lowest-energy structures of Si21 and Si25 are found on the basis of the starting structures obtained via the global search for nearly identical low-energy Stillinger?Weber (SW) and modified-SW structures. The fact that the lowest-energy structures are spherical-like may suggest that the prolate-to-spherical-like structural transition for the silicon cluster Sin is likely to occur in the range of 21 < n < 25.

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Possible Lowest-Energy Geometry of Silicon Clusters Si₂₁ and Si₂₅

Abstract

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