engleski

ELECTRONIC STRUCTURE OF STRAINED SILICON LAYERS

Recent research on thin silicon layers, flanked with crystalline silicon oxide, reviled that certain interfaces cause strain in the silicon layer. That strain can be reduced by deformations in the silicon layer. Here we report the influence of deformations of the thin silicon layer on its electronic structure. We used five atomic layers thin slab of silicon, flanked with alpha quartz along [110] surface. The bonding pattern in the interface causes the slab of silicon to buckle. For comparison, the ideal slab of silicon was created by removing silicon oxide layer and replacing it with OH groups. The differences between electronic structures of the ideal and the buckled silicon layer are determined from DFT calculations. Electrical conductivities of ideal and buckled layers of silicon are calculated by using non-equilibrium Green’s function.

silicon; thin films; molecular dynamics; DFT

nije evidentirano