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Formation of an icosahedral diamond crystal and its computer simulation
KTH.
2009 (English)In: Xinxing tancailiao, ISSN 1007-8827, Vol. 24, no 2, 102-108 p.Article in journal (Refereed) Published
Abstract [en]

Icosahedral diamond crystals (IDCs) were found in chemical vapour deposited diamond by a field emission scanning electron microscope, using. YG13 (cemented tungsten carbide containing 13% of Co) as a substrate. It is found that the nanometer sized IDCs are in the shape of a nearly perfect icosahedron and the micrometer sized IDCs are in the shape of a icosahedron with dimples or grooves. A simulation on atomistic scale is performed by assuming a nucleation - growth model in order to elaborate the mechanism of IDC formation. Results show that the nucleus of IDCs is dodecahedrane, C20H20. For the tetrahedral cubic packing, the dihedral angle of {111} facets of IDCs is 2.87 degrees larger than that of the normal {111} twin plane. The geometric position of the bilateral atoms on the {111} twin plane of IDCs is mismatched, resulting in a distorted twin plane (DTP) in IDCs. The high energy of DTP induces the dimples or grooves that occurred in IDCs.

Place, publisher, year, edition, pages
2009. Vol. 24, no 2, 102-108 p.
Keyword [en]
CVD, Diamond, Icosahedron, C20H20, Computer simulation
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-33123ISI: 000267634200002Scopus ID: 2-s2.0-67650553993OAI: oai:DiVA.org:kth-33123DiVA: diva2:413454
Note
QC 20110428Available from: 2011-04-28 Created: 2011-04-28 Last updated: 2017-12-11Bibliographically approved

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