There are no files associated with this item.
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.citation.endPage | 534 | - |
dc.citation.number | 5-6 | - |
dc.citation.startPage | 529 | - |
dc.citation.title | CHEMICAL PHYSICS LETTERS | - |
dc.citation.volume | 341 | - |
dc.contributor.author | Wang, JL | - |
dc.contributor.author | Wang, GH | - |
dc.contributor.author | Ding, F | - |
dc.contributor.author | Lee, H | - |
dc.contributor.author | Shen, WF | - |
dc.contributor.author | Zhao, JJ | - |
dc.date.accessioned | 2023-12-22T11:43:51Z | - |
dc.date.available | 2023-12-22T11:43:51Z | - |
dc.date.created | 2020-03-04 | - |
dc.date.issued | 2001-06 | - |
dc.description.abstract | The lowest energy structures of Si-n clusters up to 21 atoms are optimized with a genetic algorithm (GA) and density functional theory (DFT) with generalized gradient approximation (GGA). The structural transition from prolate cage-based structures to near-spherical configurations is found at n = 17. Remarkable different melting behaviors of silicon clusters are obtained between those in prolate structures and near-spherical geometries. The structural transformation of near-spherical clusters is observed in the melting process. Two possible melting processes are proposed: near-spherical --> prolate --> subunits --> molten and near-spherical --> prolate --> molten oblate. (C) 2001 Elsevier Science B.V. All rights reserved. | - |
dc.identifier.bibliographicCitation | CHEMICAL PHYSICS LETTERS, v.341, no.5-6, pp.529 - 534 | - |
dc.identifier.doi | 10.1016/S0009-2614(01)00522-X | - |
dc.identifier.issn | 0009-2614 | - |
dc.identifier.scopusid | 2-s2.0-0001762829 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/31440 | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S000926140100522X | - |
dc.identifier.wosid | 000169537600022 | - |
dc.language | 영어 | - |
dc.publisher | ELSEVIER SCIENCE BV | - |
dc.title | Structural transition of Si clusters and their thermodynamics | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical; Physics, Atomic, Molecular & Chemical | - |
dc.relation.journalResearchArea | Chemistry; Physics | - |
dc.type.docType | Article | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordPlus | BINDING MOLECULAR-DYNAMICS | - |
dc.subject.keywordPlus | GAS CORRELATION-ENERGY | - |
dc.subject.keywordPlus | GENETIC-ALGORITHM | - |
dc.subject.keywordPlus | SILICON CLUSTERS | - |
dc.subject.keywordPlus | SCHEME | - |
dc.subject.keywordPlus | SIMULATION | - |
dc.subject.keywordPlus | GERMANIUM | - |
dc.subject.keywordPlus | IONS | - |
Items in Repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Tel : 052-217-1404 / Email : scholarworks@unist.ac.kr
Copyright (c) 2023 by UNIST LIBRARY. All rights reserved.
ScholarWorks@UNIST was established as an OAK Project for the National Library of Korea.