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dc.contributor.CRUESPUniversidade Estadual de Campinaspt_BR
dc.typeArtigo de periódicopt_BR
dc.titlePhase stability, chemical bonds, and gap bowing of InxGa1-xN alloys: Comparison between cubic and wurtzite structurespt_BR
dc.contributor.authorCaetano, Cpt_BR
dc.contributor.authorTeles, LKpt_BR
dc.contributor.authorMarques, Mpt_BR
dc.contributor.authorDal Pino, Apt_BR
dc.contributor.authorFerreira, LGpt_BR
unicamp.authorComando Geral Tecnol Aeroespacial, Inst Tecnol Aeronaut, Dept Fis, BR-12228900 Sao Jose Dos Campos, SP, Brazil Comando Geral Tecnol Aeroespacial, Inst Tecnol Aeronaut, Div Engn Eletron, Dept Microondas & Optoeletron, BR-12228900 Sao Jose Dos Campos, SP, Brazil Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083970 Campinas, SP, Brazilpt_BR
dc.subject.wosMolecular-beam Epitaxypt_BR
dc.subject.wosFundamental-band Gappt_BR
dc.subject.wosGroup-iii Nitridespt_BR
dc.subject.wosIngan Alloyspt_BR
dc.subject.wosIn1-xgaxn Alloyspt_BR
dc.subject.wosZincblende Inganpt_BR
dc.description.abstractThermodynamic, structural, and electronic properties of wurtzite InxGa1-xN 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
dc.relation.ispartofPhysical Review Bpt_BR
dc.relation.ispartofabbreviationPhys. Rev. Bpt_BR
dc.publisher.cityCollege Pkpt_BR
dc.publisherAmer Physical Socpt_BR
dc.identifier.citationPhysical Review B. Amer Physical Soc, v. 74, n. 4, 2006.pt_BR
dc.sourceWeb of Sciencept_BR
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