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pubmed-article:15783976rdf:typepubmed:Citationlld:pubmed
pubmed-article:15783976lifeskim:mentionsumls-concept:C0037107lld:lifeskim
pubmed-article:15783976lifeskim:mentionsumls-concept:C0205390lld:lifeskim
pubmed-article:15783976lifeskim:mentionsumls-concept:C0679083lld:lifeskim
pubmed-article:15783976lifeskim:mentionsumls-concept:C0681494lld:lifeskim
pubmed-article:15783976pubmed:issue9lld:pubmed
pubmed-article:15783976pubmed:dateCreated2005-3-23lld:pubmed
pubmed-article:15783976pubmed:abstractTextIn this Letter we present a calculation of the temperature-pressure phase diagram of Si in a range of pressures covering from -5 to 20 GPa and temperatures up to the melting point. The phase boundaries and triple points between the diamond, liquid, beta-Sn, and Si34 clathrate phases are reported. We have employed efficient simulation techniques to calculate free energies and to numerically integrate the Clausius-Clapeyron equation, combined with a tight-binding model capable of an accuracy comparable to that of first-principles methods. The resulting phase diagram agrees well with the available experimental data.lld:pubmed
pubmed-article:15783976pubmed:languageenglld:pubmed
pubmed-article:15783976pubmed:journalhttp://linkedlifedata.com/r...lld:pubmed
pubmed-article:15783976pubmed:statusPubMed-not-MEDLINElld:pubmed
pubmed-article:15783976pubmed:monthMarlld:pubmed
pubmed-article:15783976pubmed:issn0031-9007lld:pubmed
pubmed-article:15783976pubmed:authorpubmed-author:KaczmarskiMMlld:pubmed
pubmed-article:15783976pubmed:authorpubmed-author:HernándezE...lld:pubmed
pubmed-article:15783976pubmed:authorpubmed-author:Bedoya-Martín...lld:pubmed
pubmed-article:15783976pubmed:issnTypePrintlld:pubmed
pubmed-article:15783976pubmed:day11lld:pubmed
pubmed-article:15783976pubmed:volume94lld:pubmed
pubmed-article:15783976pubmed:ownerNLMlld:pubmed
pubmed-article:15783976pubmed:authorsCompleteYlld:pubmed
pubmed-article:15783976pubmed:pagination095701lld:pubmed
pubmed-article:15783976pubmed:year2005lld:pubmed
pubmed-article:15783976pubmed:articleTitlePhase diagram of silicon from atomistic simulations.lld:pubmed
pubmed-article:15783976pubmed:affiliationInstitut de Ciència de Materials de Barcelona (ICMAB-CSIC), Campus de Bellaterra, 08193 Barcelona, Spain.lld:pubmed
pubmed-article:15783976pubmed:publicationTypeJournal Articlelld:pubmed