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AlGaInN metal-organic-chemical-vapor-deposition gas-phase chemistry in hydrogen and nitrogen diluents: First-principles calculations
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials.
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.ORCID iD: 0000-0001-9402-1491
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Computational Physics .
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.ORCID iD: 0000-0002-2837-3656
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2006 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 431, no 4-6, 346-351 p.Article in journal (Refereed) Published
Abstract [en]

Direct impact of H2 and N2 diluents on the metal-organic-chemical-vapor-deposition gas-phase chemistry in M(CH3)3/NH3 (M = Al, Ga, In) systems is identified in the framework of Density Functional Theory in terms of cohesive energy differences. While both diluents destabilize model reaction species, i.e. adducts, transition states and chain complexes, the effect is particularly strong with respect to N2 in the Al(CH3)3/NH3 system, and can be a factor to restrain the expansion of chain complexes that deplete the gas-phase from precursors. Theoretical results are supported by experimental evidences of higher growth rate and superior optical properties of AlN grown in N2 vs. H2 diluent. © 2006 Elsevier B.V. All rights reserved.

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2006. Vol. 431, no 4-6, 346-351 p.
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Natural Sciences
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URN: urn:nbn:se:liu:diva-36471DOI: 10.1016/j.cplett.2006.09.102Local ID: 31415OAI: oai:DiVA.org:liu-36471DiVA: diva2:257319
Available from: 2009-10-10 Created: 2009-10-10 Last updated: 2017-12-13

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Kakanakova-Georgieva, AneliaGueorguiev, Gueorgui KostovStafström, SvenHultman, LarsJanzén, Erik

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Kakanakova-Georgieva, AneliaGueorguiev, Gueorgui KostovStafström, SvenHultman, LarsJanzén, Erik
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