Modeling the compositional instability in wurtzite Ga1-x Inx N

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en Ganchenkova, M. G. Borodin, Vladimir A. Laaksonen, K. Nieminen, Risto 2018-05-22T14:28:07Z 2018-05-22T14:28:07Z 2008-02-26
dc.identifier.citation Ganchenkova , M G , Borodin , V A , Laaksonen , K & Nieminen , R 2008 , ' Modeling the compositional instability in wurtzite Ga1-x Inx N ' PHYSICAL REVIEW B , vol 77 , no. 7 , 075207 , pp. 1-13 . DOI: 10.1103/PhysRevB.77.075207 en
dc.identifier.issn 1098-0121
dc.identifier.issn 1550-235X
dc.identifier.other PURE UUID: 03632894-da97-44b1-a23f-68045f0e9bb7
dc.identifier.other PURE ITEMURL:
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dc.description.abstract The paper deals with multiscale modeling of the minor component ordering in wurtzite Ga1-x Inx N (x<0.5) alloys. The treatment combines the total-energy density-functional calculations of the metal atom interaction parameters and the atomistic description of the alloy decomposition using lattice kinetic Monte Carlo. It is demonstrated that the phase decomposition patterns in wurzite GaInN are very sensitive to the interplay of metal atom interactions at several interatomic distances (at least to the fourth nearest neighbors) on the cation sublattice. Variation of the metal interaction energies within reasonable limits resulted in pronouncedly different relaxation patterns (linear or wall ordering of In and Ga atoms along c -axis, planar ordering parallel to basal plane, spinodal decomposition). The high sensitivity of the GaInN decomposition to relatively small variations of the metal interaction energies could be the main reason for the experimentally observed versatility of the alloy decomposition patterns and their sensitivity to the particular experimental conditions. en
dc.format.extent 1-13
dc.format.mimetype application/pdf
dc.language.iso en en
dc.relation.ispartofseries PHYSICAL REVIEW B en
dc.relation.ispartofseries Volume 77, issue 7 en
dc.rights openAccess en
dc.subject.other Condensed Matter Physics en
dc.title Modeling the compositional instability in wurtzite Ga1-x Inx N en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.contributor.department Department of Applied Physics
dc.contributor.department Russian Research Centre Kurchatov Institute
dc.subject.keyword Condensed Matter Physics
dc.identifier.urn URN:NBN:fi:aalto-201805222180
dc.identifier.doi 10.1103/PhysRevB.77.075207
dc.type.version publishedVersion

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