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Electronic and optical properties of gamma-Al2O3 from ab initio theory
KTH, Superseded Departments, Materials Science and Engineering.
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2004 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 16, no 16, 2891-2900 p.Article in journal (Refereed) Published
Abstract [en]

We report on a density functional theory calculation of the electronic structure and optical properties of gamma-Al2O3. We have made a comparison between the optical and electronic properties of the alpha and gamma phases of alumina. The calculated bulk modulus of the gamma phase is slightly lower than that of the a phase. The calculated static dielectric function and the optical constant of the gamma phase are very close to those of the alpha phase.

Place, publisher, year, edition, pages
2004. Vol. 16, no 16, 2891-2900 p.
Keyword [en]
x-ray-emission, gamma-alumina, structural-properties, crystal-structure, brillouin-zone, special points, alpha-al2o3, kappa-al2o3, band, systems
National Category
Physical Sciences
URN: urn:nbn:se:kth:diva-23423DOI: 10.1088/0953-8984/16/16/013ISI: 000221482900019ScopusID: 2-s2.0-2442424422OAI: diva2:342121
QC 20100525 QC 20111103Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2011-11-03Bibliographically approved

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Ahuja, RajeevJohansson, Börje
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