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Electronic and opti...
Electronic and optical properties of gamma-Al2O3 from ab initio theory
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- Ahuja, Rajeev (author)
- KTH,Materialvetenskap
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Osorio-Guillen, J. M. (author)
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de Almeida, J. S. (author)
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Holm, B. (author)
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Ching, W. Y. (author)
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- Johansson, Börje (author)
- KTH,Materialvetenskap
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(creator_code:org_t)
- 2004-04-09
- 2004
- English.
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In: Journal of Physics. - : IOP Publishing. - 0953-8984 .- 1361-648X. ; 16:16, s. 2891-2900
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- 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.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- x-ray-emission
- gamma-alumina
- structural-properties
- crystal-structure
- brillouin-zone
- special points
- alpha-al2o3
- kappa-al2o3
- band
- systems
Publication and Content Type
- ref (subject category)
- art (subject category)
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