Structure of the Si45 cluster

Daniel A. Jelski; Brian L. Swift; Tapio T. Rantala; Xinfu Xia; Thomas F. George

doi:10.1063/1.461813

Structure of the Si45 cluster

Daniel A. Jelski, Brian L. Swift, Tapio T. Rantala, Xinfu Xia, Thomas F. George

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

54 Citations (Scopus)

Abstract

Six structures for the Si₄₃ cluster are compared using a tight-binding model. Two new structures are proposed which appear to be the low-energy isomers and to explain much of the existing experimental data. Cluster reactivity is distinguished from cluster stability, and several reasons are discussed which may lead to a reactive or unreactive species. These criteria are applied to the Si₄₅ isomers, and the results are also correlated with experimental data.

Original language	English
Pages (from-to)	8552-8560
Number of pages	9
Journal	Journal of Chemical Physics
Volume	95
Issue number	11
DOIs	https://doi.org/10.1063/1.461813
Publication status	Published - 1991
Externally published	Yes
Publication type	A1 Journal article-refereed

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics

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10.1063/1.461813

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@article{6cf372445d994abbb446e953153f0c64,

title = "Structure of the Si45 cluster",

abstract = "Six structures for the Si43 cluster are compared using a tight-binding model. Two new structures are proposed which appear to be the low-energy isomers and to explain much of the existing experimental data. Cluster reactivity is distinguished from cluster stability, and several reasons are discussed which may lead to a reactive or unreactive species. These criteria are applied to the Si45 isomers, and the results are also correlated with experimental data.",

author = "Jelski, {Daniel A.} and Swift, {Brian L.} and Rantala, {Tapio T.} and Xinfu Xia and George, {Thomas F.}",

year = "1991",

doi = "10.1063/1.461813",

language = "English",

volume = "95",

pages = "8552--8560",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

number = "11",

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TY - JOUR

T1 - Structure of the Si45 cluster

AU - Jelski, Daniel A.

AU - Swift, Brian L.

AU - Rantala, Tapio T.

AU - Xia, Xinfu

AU - George, Thomas F.

PY - 1991

Y1 - 1991

N2 - Six structures for the Si43 cluster are compared using a tight-binding model. Two new structures are proposed which appear to be the low-energy isomers and to explain much of the existing experimental data. Cluster reactivity is distinguished from cluster stability, and several reasons are discussed which may lead to a reactive or unreactive species. These criteria are applied to the Si45 isomers, and the results are also correlated with experimental data.

AB - Six structures for the Si43 cluster are compared using a tight-binding model. Two new structures are proposed which appear to be the low-energy isomers and to explain much of the existing experimental data. Cluster reactivity is distinguished from cluster stability, and several reasons are discussed which may lead to a reactive or unreactive species. These criteria are applied to the Si45 isomers, and the results are also correlated with experimental data.

U2 - 10.1063/1.461813

DO - 10.1063/1.461813

M3 - Article

AN - SCOPUS:0000394576

SN - 0021-9606

VL - 95

SP - 8552

EP - 8560

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 11

ER -

Structure of the Si45 cluster

Abstract

ASJC Scopus subject areas

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