Stuffed fullerene structures for medium-sized silicon clusters

J. Zhao; J. Wang; J. Jellinek; S. Yoo; X. C. Zeng

doi:10.1140/epjd/e2005-00113-x

Stuffed fullerene structures for medium-sized silicon clusters

J. Zhao
, J. Wang
, J. Jellinek
, S. Yoo
, X. C. Zeng^*

^*Corresponding author for this work

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

39 Citations (Scopus)

Abstract

The structural properties of medium-sized silicon clusters (Si ₄₀, Si₄₅ and Si₅₀) have been studied using an unbiased global genetic algorithm search incorporated with a tight-binding model, followed by gradient-corrected density functional calculations. Stuffed fullerene cages are obtained as energetically favorite structures. The stuffing/cage ratio (m/n for Si_m@Si_n) can be understood by a space filling picture. The present results, along with our recent works on Si_N (N=27-39) clusters [20], suggest that stuffed fullerene cages are the preferred structural growth pattern of medium-sized silicon clusters. © EDP Sciences, Società Italiana di Fisica, Springer-Verlag 2005.

Original language	English
Pages (from-to)	35-37
Journal	European Physical Journal D
Volume	34
Issue number	1-3
DOIs	https://doi.org/10.1140/epjd/e2005-00113-x
Publication status	Published - Jul 2005
Externally published	Yes

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Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

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title = "Stuffed fullerene structures for medium-sized silicon clusters",

abstract = "The structural properties of medium-sized silicon clusters (Si 40, Si45 and Si50) have been studied using an unbiased global genetic algorithm search incorporated with a tight-binding model, followed by gradient-corrected density functional calculations. Stuffed fullerene cages are obtained as energetically favorite structures. The stuffing/cage ratio (m/n for Sim@Sin) can be understood by a space filling picture. The present results, along with our recent works on SiN (N=27-39) clusters [20], suggest that stuffed fullerene cages are the preferred structural growth pattern of medium-sized silicon clusters. {\textcopyright} EDP Sciences, Societ{\`a} Italiana di Fisica, Springer-Verlag 2005.",

author = "J. Zhao and J. Wang and J. Jellinek and S. Yoo and Zeng, \{X. C.\}",

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AU - Zhao, J.

AU - Wang, J.

AU - Jellinek, J.

AU - Yoo, S.

AU - Zeng, X. C.

N1 - Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

PY - 2005/7

Y1 - 2005/7

N2 - The structural properties of medium-sized silicon clusters (Si 40, Si45 and Si50) have been studied using an unbiased global genetic algorithm search incorporated with a tight-binding model, followed by gradient-corrected density functional calculations. Stuffed fullerene cages are obtained as energetically favorite structures. The stuffing/cage ratio (m/n for Sim@Sin) can be understood by a space filling picture. The present results, along with our recent works on SiN (N=27-39) clusters [20], suggest that stuffed fullerene cages are the preferred structural growth pattern of medium-sized silicon clusters. © EDP Sciences, Società Italiana di Fisica, Springer-Verlag 2005.

AB - The structural properties of medium-sized silicon clusters (Si 40, Si45 and Si50) have been studied using an unbiased global genetic algorithm search incorporated with a tight-binding model, followed by gradient-corrected density functional calculations. Stuffed fullerene cages are obtained as energetically favorite structures. The stuffing/cage ratio (m/n for Sim@Sin) can be understood by a space filling picture. The present results, along with our recent works on SiN (N=27-39) clusters [20], suggest that stuffed fullerene cages are the preferred structural growth pattern of medium-sized silicon clusters. © EDP Sciences, Società Italiana di Fisica, Springer-Verlag 2005.

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UR - https://www.scopus.com/pages/publications/23744468299#tab=impact

U2 - 10.1140/epjd/e2005-00113-x

DO - 10.1140/epjd/e2005-00113-x

M3 - RGC 21 - Publication in refereed journal

SN - 1434-6060

VL - 34

SP - 35

EP - 37

JO - European Physical Journal D

JF - European Physical Journal D

IS - 1-3

ER -

Stuffed fullerene structures for medium-sized silicon clusters

Abstract

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