First principles calculations of hydrogen annealed amorphous SiO2 structures and Si/SiO2 interface for non volatile memories

Recent works have shown that when performed in the 450-600 degrees C temperature range, hydrogen anneal can generate mobile positive charges in the oxide of Si/SiO2/Si structures, identified as protons. During their transport by the applied electric field, these protons are blocked at either the top or the bottom interface. This phenomenon has been used to propose a new concept of non volatile memory device. The physical mechanisms responsible for the creation, transport and blocking of the mobile protons in Si/SiO2/Si structures are still unclear. This work presents an investigation of proton creation and blocking by atomic scale simulation using an ab-initio approach. An interfacial reactive site has been found, which could be involved in the creation and blocking steps, (C) 2000 Published by Elsevier Science Ltd. All rights reserved.