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Dislocation structures in diamond: density-functional based modelling and high-resolution electron microscopy
Umeå University, Faculty of Science and Technology, High Performance Computing Center North (HPC2N).
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2004 (English)In: Defect and Diffusion Forum, ISSN 1012-0386, Vol. 226-228, 11-30 p.Article in journal (Refereed) PublishedText
Abstract [en]

The core structures of perfect 60 and edge dislocations in diamond are investigated atomistically in a density-functional based tight-binding approach, and their dissociation is discussed both in terms of structure and energy. Furthermore, high resolution electron microscopy is performed on dislocation cores in high-temperature, high-pressure annealed natural brown diamond, and HRTEM image simulation allows a comparison of theoretically predicted and experimentally observed structures.

Place, publisher, year, edition, pages
Zürich: Trans Tech Publications, 2004. Vol. 226-228, 11-30 p.
Keyword [en]
density-functional theory, diamond, dislocations, electron microscopy, tight-binding
National Category
Condensed Matter Physics
URN: urn:nbn:se:umu:diva-122186ISI: 000224960300002OAI: diva2:938201
Available from: 2016-06-16 Created: 2016-06-15 Last updated: 2016-06-16Bibliographically approved

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Frauenheim, TÖberg, Sven
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High Performance Computing Center North (HPC2N)
Condensed Matter Physics

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