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Elastic and optical properties of alpha- and kappa-Al2O3
Uppsala University.
Uppsala University.
Uppsala University.
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1999 (English)In: PHYSICAL REVIEW B-CONDENSED MATTER, ISSN 0163-1829, Vol. 59, no 20, 12777-12787 p.Article in journal (Other scientific) Published
Abstract [en]

We present theoretical results for various properties of the stable alpha and metastable kappa phase of alumina, in particular elastic and optical properties. Two different computational methods have been used, the dacapo plane-wave-pseudopotential and th

Place, publisher, year, edition, pages
AMERICAN PHYSICAL SOC , 1999. Vol. 59, no 20, 12777-12787 p.
Keyword [en]
DENSITY FUNCTIONAL FORMALISM; ALPHA-AL2O3 SINGLE-CRYSTALS; PRESSURE PHASE-TRANSITION; AB-INITIO CALCULATION; X-RAY-EMISSION; ELECTRONIC-STRUCTURE; EXCHANGE-CORRELATION; ALL-ELECTRON; CORUNDUM; CONSTANTS
Identifiers
URN: urn:nbn:se:uu:diva-67262OAI: oai:DiVA.org:uu-67262DiVA: diva2:95173
Note
Addresses: Holm B, Chalmers Univ Technol, Dept Appl Phys, S-41296 Gothenburg, Sweden. Chalmers Univ Technol, Dept Appl Phys, S-41296 Gothenburg, Sweden. Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden. Univ Gothenburg, S-4129Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

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