Phase Stability, Chemical Bonds, And Gap Bowing Of Inx Ga1-x N Alloys: Comparison Between Cubic And Wurtzite Structures

dc.creatorCaetano C.
dc.creatorTeles L.K.
dc.creatorMarques M.
dc.creatorDal Pino Jr. A.
dc.creatorFerreira L.G.
dc.date2006
dc.date2015-06-30T18:15:05Z
dc.date2015-11-26T14:28:23Z
dc.date2015-06-30T18:15:05Z
dc.date2015-11-26T14:28:23Z
dc.date.accessioned2018-03-28T21:31:34Z
dc.date.available2018-03-28T21:31:34Z
dc.identifier
dc.identifierPhysical Review B - Condensed Matter And Materials Physics. , v. 74, n. 4, p. - , 2006.
dc.identifier10980121
dc.identifier10.1103/PhysRevB.74.045215
dc.identifierhttp://www.scopus.com/inward/record.url?eid=2-s2.0-33746506034&partnerID=40&md5=3063280692e3b39e1805216c99b1f7fe
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/103681
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/103681
dc.identifier2-s2.0-33746506034
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1246578
dc.descriptionThermodynamic, structural, and electronic properties of wurtzite Inx Ga1-x N alloys are studied by combining first-principles total energy calculations with the generalized quasichemical approach, and compared to previous results for the zinc-blende structure. Results for bond-lengths, second-nearest- neighbors distances, and bowing parameter are presented. We observed that the wurtzite results are not significantly different from the ones obtained previously for the zinc-blende structure. The calculated phase diagram of the alloy shows a broad and asymmetric miscibility gap as in the zinc-blende case, with a similar range for the growth temperatures, although with a higher critical temperature. We found a value of 1.44 eV for the gap bowing parameter giving support to the recent smaller band gap bowing findings. We emphasize that other theoretical results may suffer from incomplete sets of atomic configurations to properly describe the alloy properties, and experimental findings. Moreover one must take into account a broad composition range in order to obtain reliable results. © 2006 The American Physical Society.
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dc.languageen
dc.publisher
dc.relationPhysical Review B - Condensed Matter and Materials Physics
dc.rightsaberto
dc.sourceScopus
dc.titlePhase Stability, Chemical Bonds, And Gap Bowing Of Inx Ga1-x N Alloys: Comparison Between Cubic And Wurtzite Structures
dc.typeArtículos de revistas


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