X-ray study of the 8x8 beta-Si3N4(0001)/Si(111) reconstruction

By surface x-ray diffraction we aim to solve the 3D structure of the 8x8 beta-Si3N4(0001) reconstruction on Si(111). This system draws attention because of its potential as sub-nanometer thin insulator layer for metal/silicon junctions. In the literature, although several chemical and the electronic properties have been investigated, there is no consensus on the atomic structure of this interface. The high computational requirements still prevent the simulation of whole structure because of the large number of atoms participating in the 8x8 supercell. The precise identification of the atomic positions constituting the interface can be relevant for the understanding of the electronic band structure, a first step towards the exploitation of this interface in future electronic devices.