Structure and energetics of the Si-SiO_2 interface

Details Structure and energetics of the Si-SiO_2 interface Structure and energetics of the Si-SiO_2 interface

1999-03-29

arxiv.org/abs/cond-mat/9903424v1

Physics

Condensed Matter

Materials Science

LaTex file with 4 figures in GIF format

Scientific paper

10.1103/PhysRevLett.84.4393

Silicon has long been synonymous with semiconductor technology. This unique role is due largely to the remarkable properties of the Si-SiO_2 interface, especially the (001)-oriented interface used in most devices. Although Si is crystalline and the oxide is amorphous, the interface is essentially perfect, with an extremely low density of dangling bonds or other electrically active defects. With the continual decrease of device size, the nanoscale structure of the silicon/oxide interface becomes more and more important. Yet despite its essential role, the atomic structure of this interface is still unclear. Using a novel Monte Carlo approach, we identify low-energy structures for the interface. The optimal structure found consists of Si-O-Si "bridges" ordered in a stripe pattern, with very low energy. This structure explains several puzzling experimental observations.

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