YU Zhi-ming, WEI Qiu-ping, YE Jun, A. Flodrstr-m. Formation of an icosahedral diamond crystal and its computer simulation. New Carbon Mater., 2009, 24(02): 102-108.
Citation:
YU Zhi-ming, WEI Qiu-ping, YE Jun, A. Flodrstr-m. Formation of an icosahedral diamond crystal and its computer simulation. New Carbon Mater., 2009, 24(02): 102-108.
YU Zhi-ming, WEI Qiu-ping, YE Jun, A. Flodrstr-m. Formation of an icosahedral diamond crystal and its computer simulation. New Carbon Mater., 2009, 24(02): 102-108.
Citation:
YU Zhi-ming, WEI Qiu-ping, YE Jun, A. Flodrstr-m. Formation of an icosahedral diamond crystal and its computer simulation. New Carbon Mater., 2009, 24(02): 102-108.
School of Materials Science and Engineering, Central South University, Changsha 410083, China|
State Key Laboratory for Powder Metallurgy, Changsha 410083, China|
Funds:
Open Fund of State Key Laboratory of Powder Metallurgy (2008112048); Innovation Foundation for Postgraduate of Hunan Province of China (1343-74236000005); Excellent Doctor Degree Thesis Support Foundation of Central South University (2008yb015); Open Fund for Valuable Instrument of Central South University (No.ZKJ2008001).
YU Zhi-ming (1956-), male, Ph,D.of Royal Institute of Technology, Sweden, Professor, engaged in the research on CVD diamond film. Email: zhiming@mail.csu.edu.cn
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 2.87o 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.