Por favor, use este identificador para citar o enlazar a este item:
http://hdl.handle.net/10261/2964
COMPARTIR / EXPORTAR:
SHARE BASE | |
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE | |
Campo DC | Valor | Lengua/Idioma |
---|---|---|
dc.contributor.author | Kaczmarski, Marcin | - |
dc.contributor.author | Bedoya-Martinez, O. Natalia | - |
dc.contributor.author | Hernández, Eduardo R. | - |
dc.date.accessioned | 2008-02-18T14:12:04Z | - |
dc.date.available | 2008-02-18T14:12:04Z | - |
dc.date.issued | 2005-03-11 | - |
dc.identifier.citation | Physical Review Letters Vol. 94, 095701 (2005) | en_US |
dc.identifier.uri | http://hdl.handle.net/10261/2964 | - |
dc.description | http://scitation.aip.org/vsearch/servlet/VerityServlet?KEY=PRLTAO&smode=strresults&sort=rel&maxdisp=25&threshold=0&allprl=1&pjournals=PRLTAO&pyears=aps2000s&possible1zone=multi&bool1=and&possible2=Kaczmarski&possible2zone=author&OUTLOG=NO&articlecategory=apsAllarticles&viewabs=PRLTAO&key=DISPLAY&docID=1&page=1&chapter=0 | en_US |
dc.description.abstract | In 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 $\mbox{Si}_{34}$ 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. | en_US |
dc.description.sponsorship | The use of computer facilities at $C^4$ (Centre de Computaci\`{o} i Comunicaci\`{o} de Catalunya), CESGA (CEntro de Supercomputaci\'{o}n de GAlicia), ICM (Interdisciplinary Center for Mathematical and Computer Modeling, Warsaw University), and TASK (Academic Computer Center, Gdansk) is gratefully acknowledged. This work has been funded by the Spanish Ministry of Science and Education (MEC) under project BFM2003-03372-C03. | en_US |
dc.format.extent | 120810 bytes | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | en_US |
dc.publisher | American Physical Society | en_US |
dc.rights | openAccess | en_US |
dc.subject | Atomistic simulations | en_US |
dc.subject | Phase diagrams of materials | en_US |
dc.title | Phase diagram of silicon from atomistic simulations | en_US |
dc.type | artículo | en_US |
dc.description.peerreviewed | Peer reviewed | en_US |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairetype | artículo | - |
item.grantfulltext | open | - |
item.cerifentitytype | Publications | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | With Fulltext | - |
item.languageiso639-1 | en | - |
Aparece en las colecciones: | (ICMAB) Artículos |
Ficheros en este ítem:
Fichero | Descripción | Tamaño | Formato | |
---|---|---|---|---|
Si_phase_resubmit.pdf | 117,98 kB | Adobe PDF | Visualizar/Abrir |
CORE Recommender
Page view(s)
391
checked on 19-abr-2024
Download(s)
1.268
checked on 19-abr-2024
Google ScholarTM
Check
NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.