O-vacancies in (i) nano-crystalline HfO2 and (i) non-crystalline SiO2 and Si3N4 studied by X-ray absorption spectroscopy

J Nanosci Nanotechnol. 2012 Jun;12(6):4811-9. doi: 10.1166/jnn.2012.4912.

Abstract

Performance and reliability in semiconductor devices are limited by electronically active defects, primarily O-atom and N-atom vacancies. Synchrotron X-ray spectroscopy results, interpreted in the context of two-electron multiplet theories, have been used to analyze conduction band edge, and O-vacancy defect states in nano-crystalline transition metal oxides, e.g., HfO2, and the noncrystalline dielectrics, SiO2, Si3N4 and Si-oxynitride alloys. Two-electron multiplet theory been used to develop a high-spin state equivalent d2 model for O-vacancy allowed transitions and negative ion states as detected by X-ray absorption spectroscopy in the O K pre-edge regime. Comparisons between theory and experiment have used Tanabe-Sugano energy level diagrams for determining the symmetries and relative energies of intra-d-state transitions for an equivalent d2 ground state occupancy. Trap-assisted-tunneling, Poole-Frenkel hopping transport, and the negative bias temperature instability have been explained in terms of injection and/or trapping into O-atom and N-atom vacancy sites, and applied to gate dielectric, and metal-insulator-metal structures.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Computer Simulation
  • Crystallization
  • Electron Transport
  • Hafnium / chemistry*
  • Materials Testing
  • Models, Chemical*
  • Nanostructures / chemistry*
  • Nanostructures / ultrastructure
  • Oxides / chemistry*
  • Oxygen / chemistry*
  • Semiconductors
  • Silicon Compounds / chemistry*
  • Silicon Dioxide / chemistry*
  • X-Ray Absorption Spectroscopy / methods*

Substances

  • Oxides
  • Silicon Compounds
  • hafnium oxide
  • Silicon Dioxide
  • silicon nitride
  • Oxygen
  • Hafnium