Electronic structure simulation of thin silicon layers: Impact of orientation, confinement, and strain

Silicon-on-insulator is a key technology to support the continuation of Moore's law. This publication investigates the impact of orientation, confinement, and strain on the electronic structure of thin silicon slabs using density functional theory. The comparative study of low-index orientations demonstrates that confinement not only widens the band gap but also transforms the band gap type. For thin silicon layers, strain can alter band gap and band gap type, too. By comparing our findings for different crystal orientations, we demonstrate that the consideration of the electronic structure of strained and confined silicon is of high relevance for modelling actual devices.

Automated summary

This publication investigates the impact of orientation, confinement, and strain on the electronic structure of thin silicon slabs using density functional theory. The study shows that confinement widens the band gap and transforms the band gap type, while strain can also alter the band gap and band gap type in thin silicon layers. Comparing findings for different crystal orientations, the study demonstrates the high relevance of considering the electronic structure of strained and confined silicon for modeling actual devices.