In this work, we analyze the different reconstructions on Si(1 0 0) surfaces and on symmetric and asymmetric (1 0 0)-oriented nanosheets. Recently, sub-10 nm low-dimensional systems have been experimentally synthesized by employing sublithographic methods that in principle even allow asymmetric functionalization on the length scale of a few nanometers. Accordingly, we have evaluated the impact that stress reduction has on passing from a surface to a nanosheet system and have calculated the stability and electronic properties of the silylenic defect. The presence of such a defect on Si surfaces is considered to be responsible for the only line with a negative chemical shift in XPS spectra. Our results, which derive from a periodic approach (slab), are in excellent agreement with those previously obtained via a cluster approach.
Stress analysis of silicon nanosheets with nanotechnological functionalization
GIORGI, Giacomo;
2011
Abstract
In this work, we analyze the different reconstructions on Si(1 0 0) surfaces and on symmetric and asymmetric (1 0 0)-oriented nanosheets. Recently, sub-10 nm low-dimensional systems have been experimentally synthesized by employing sublithographic methods that in principle even allow asymmetric functionalization on the length scale of a few nanometers. Accordingly, we have evaluated the impact that stress reduction has on passing from a surface to a nanosheet system and have calculated the stability and electronic properties of the silylenic defect. The presence of such a defect on Si surfaces is considered to be responsible for the only line with a negative chemical shift in XPS spectra. Our results, which derive from a periodic approach (slab), are in excellent agreement with those previously obtained via a cluster approach.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
