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Electronic and optical properties of wurztzie and zinc-blende TlN and AlN
Vise andre og tillknytning
2005 (engelsk)Inngår i: Journal of Crystal Growth, ISSN 0022-0248, E-ISSN 1873-5002, Vol. 281, nr 1, s. 151-160Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

We present calculations of the band structure, density of states and the real and imaginary parts of the dielectric functions in intrinsic TIN and AlN, both for wurtzite and the zinc-blende polytypes. They are based on the local density approximation (LDA) within the density functional theory (DFT), employing the first-principles, full-potential linearized augmented plane wave (FPLAPW) method. We correct the band gap of the AlN by using a quasi-particle method proposed by Bechstedt and Del Sole. The calculated energy gaps, lattice constants and dielectric constants for AlN are in good agreement with available experimental values while for TIN there is no experimental investigation.

sted, utgiver, år, opplag, sider
2005. Vol. 281, nr 1, s. 151-160
Emneord [en]
band structure, dielectric function, FPLAPW, local density approximation, optical properties, III-nitrides, fundamental energy-gap, molecular-beam epitaxy, band-gap, gallium nitride, dielectric function, wurtzite aln, zinc-blende, 001 silicon, thin-films, ab-initio
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Identifikatorer
URN: urn:nbn:se:kth:diva-14916DOI: 10.1016/j.jcrysgro.2005.03.021ISI: 000230580000022Scopus ID: 2-s2.0-20744436709OAI: oai:DiVA.org:kth-14916DiVA, id: diva2:332957
Merknad
QC 20100525 QC 20111011Tilgjengelig fra: 2010-08-05 Laget: 2010-08-05 Sist oppdatert: 2017-12-12bibliografisk kontrollert

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