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 temper ature range, hydrogen anneal can generate mobile positive charges in the ox ide 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 co ncept of non volatile memory device. The physical mechanisms responsible fo r 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 approa ch. An interfacial reactive site has been found, which could be involved in the creation and blocking steps, (C) 2000 Published by Elsevier Science Lt d. All rights reserved.