Transition structure at the Si(100)-SiO2 interface.
We characterize the transition structure at the Si(100)-SiO2 interface by addressing the inverse ion-scattering problem. We achieve sensitivity to Si displacements at the interface by carrying out ion-scattering measurements in the channeling geometry for varying ion energies. To interpret our experimental results, we generate realistic atomic-scale models using a first-principles approach and carry out ion-scattering simulations based on classical interatomic potentials. Silicon displacements larger than 0.09 A are found to propagate for three layers into the Si substrate, ruling out a transition structure with regularly ordered O bridges, as recently proposed.
Bongiorno
Angelo
A
Institut de Théorie des Phénomènes Physiques, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland.
Pasquarello
Alfredo
A
Hybertsen
Mark S
MS
Feldman
L C
LC