Statistical Model Applied To Ax By C1-x-y D Quaternary Alloys: Bond Lengths And Energy Gaps Of Alx Gay In1-x-y X (x=as, P, Or N) Systems

dc.creatorMarques M.
dc.creatorTeles L.K.
dc.creatorFerreira L.G.
dc.creatorScolfaro L.M.R.
dc.creatorFurthmuller J.
dc.creatorBechstedt F.
dc.date2006
dc.date2015-06-30T18:15:19Z
dc.date2015-11-26T14:28:22Z
dc.date2015-06-30T18:15:19Z
dc.date2015-11-26T14:28:22Z
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. 73, n. 23, p. - , 2006.
dc.identifier10980121
dc.identifier10.1103/PhysRevB.73.235205
dc.identifierhttp://www.scopus.com/inward/record.url?eid=2-s2.0-33745063597&partnerID=40&md5=ba1c5454c938ed1aa7ac4f3823c58349
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/103694
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/103694
dc.identifier2-s2.0-33745063597
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1246577
dc.descriptionWe extend the generalized quasichemical approach (GQCA) to describe the Ax By C1-x-y D quaternary alloys in the zinc-blende structure. Combining this model with ab initio ultrasoft pseudopotential calculations within density functional theory, the structural and electronic properties of Alx Gay In1-x-y X (X=As, P, or N) quaternary alloys are obtained, taking into account the disorder and composition effects. Results for the bond lengths show that the variation with the compositions is approximately linear and also does not deviate very much from the value of the corresponding binary compounds. The maximum variation observed amounts to 3.6% for the In-N bond length. For the variation of band gap, we obtain a bowing parameter b=0.26 eV for the (Ga0.47 In0.53 As)z (Al0.48 In0.52 As)1-z quaternary alloy lattice matched to InP, in very good agreement with experimental data. In the case of AlGaInN, we compare our results for the band gap to data for the wurtzite phase. We also obtained a good agreement despite all evidences for cluster formation in this alloy. Finally, a bowing parameter of 0.22 eV is obtained for zinc-blende AlGaInN lattice matched with GaN. © 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.titleStatistical Model Applied To Ax By C1-x-y D Quaternary Alloys: Bond Lengths And Energy Gaps Of Alx Gay In1-x-y X (x=as, P, Or N) Systems
dc.typeArtículos de revistas


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