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Electronic and optical properties of wurztzie and zinc-blende TlN and AlN
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2005 (English)In: Journal of Crystal Growth, ISSN 0022-0248, E-ISSN 1873-5002, Vol. 281, no 1, 151-160 p.Article in journal (Refereed) 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.

Place, publisher, year, edition, pages
2005. Vol. 281, no 1, 151-160 p.
Keyword [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
National Category
Electrical Engineering, Electronic Engineering, Information Engineering
URN: urn:nbn:se:kth:diva-14916DOI: 10.1016/j.jcrysgro.2005.03.021ISI: 000230580000022ScopusID: 2-s2.0-20744436709OAI: diva2:332957
QC 20100525 QC 20111011Available from: 2010-08-05 Created: 2010-08-05 Last updated: 2011-10-11Bibliographically approved

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