LDF CALCULATIONS OF POINT DEFECTS IN GRAPHITES AND FULLERENES (2008)
Malcolm Heggie, B. R. Eggen, C. P. Ewels, P. Leary, S. Ali, G. Jungnickel, ...
Using a spin density functional code (AIMPRO) we have examined the properties of interstitials and adatoms on graphite (modelled as one, two or three layers of a polyaromatic hydrocarbon C62H20) and...
Structure and electronic properties of MoS2 nanotubes (2000)
Seifert,G., Terrones,H., Terrones,M., Jungnickel,G., Frauenheim,T.
On the electronic structure of WS2 nanotubes (2000)
Seifert,G., Terrones,H., Terrones,M., Jungnickel,G., Frauenheim,T.
Structure and electronic properties of MoS2 nanotubes (2000)
Seifert, G., Terrones, H., Terrones, M., Jungnickel, G., Frauenheim, T.
On the electronic structure of WS2 nanotubes (2000)
Seifert, G., Terrones, H., Terrones, M., Jungnickel, G., Frauenheim, T.
A Study of the affect of N and B doping on the growth of CVD diamond (100):H 2 X 1 surfaces (1997)
Kaukonen, M., Nieminen, R. M., Sitch, P. K., Jungnickel, G., Porezag, D., Frauenheim, Th.
We present a study of the effects of Nitrogen and Boron doping on the growth of CVD diamond in the (100) mechanism. These are the first calculations of this type and show that, in accordance with...