Vacancy in silicon revisited: Structure and pressure effects

dc.creatorAntonelli, A
dc.creatorKaxiras, E
dc.creatorChadi, DJ
dc.date1998
dc.dateSEP 7
dc.date2014-12-02T16:26:00Z
dc.date2015-11-26T16:49:22Z
dc.date2014-12-02T16:26:00Z
dc.date2015-11-26T16:49:22Z
dc.date.accessioned2018-03-28T23:36:04Z
dc.date.available2018-03-28T23:36:04Z
dc.identifierPhysical Review Letters. American Physical Soc, v. 81, n. 10, n. 2088, n. 2091, 1998.
dc.identifier0031-9007
dc.identifierWOS:000075682400026
dc.identifier10.1103/PhysRevLett.81.2088
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/73099
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/73099
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/73099
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1275435
dc.descriptionThe structure of the single vacancy in silicon. one of the most common point defects and an important mediator of atomic diffusion, is examined through extensive first principles calculations. We find a hitherto unexpected result, namely that there exist two distinct distortions associated with the vacancy with essentially identical formation energies at zero pressure. The two distortions are distinguished by their different relaxations, volumes of formation, and :formation enthalpies. We discuss how, at finite pressure, one of the two distortions should become dominant, and suggest experimental tests of this effect.
dc.description81
dc.description10
dc.description2088
dc.description2091
dc.languageen
dc.publisherAmerican Physical Soc
dc.publisherCollege Pk
dc.publisherEUA
dc.relationPhysical Review Letters
dc.relationPhys. Rev. Lett.
dc.rightsaberto
dc.sourceWeb of Science
dc.subjectBinding Molecular-dynamics
dc.subjectPoint-defects
dc.subjectCrystalline Silicon
dc.subjectSelf-diffusion
dc.subjectSi
dc.titleVacancy in silicon revisited: Structure and pressure effects
dc.typeArtículos de revistas


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