Influence of intrinsic defects and strain on electronic reliability of gate oxide films

Research output: Chapter in Book/Report/Conference proceedingConference contribution


The effect of strain and intrinsic defects on both electronic and structural characteristics of HfO2-x used for sub-100-nm semiconductor devices was analyzed by a quantum chemical molecular dynamics analysis. The magnitude of the band gap of HfO2 decreases by about 10% under the applied strain, The stable crystallographic structure of the monoclinic HfO2 changes to a cubic-like structure under the strain. The magnitude of the band gap of the HfO2-x decreases drastically from 5.7 eV to about 1.0 eV due to the formation of an electronic state within the band gap when an oxygen vacancy is introduced to the perfect HfO 2. In the HfO2-x film, oxygen atoms near the oxygen vacancy can move drastically at temperatures higher than 800 K. Therefore, it is very important to control the chemical composition of the hafnium oxide film and to optimize the annealing condition to maintain both the high reliability and performance of the gate oxide film.

Original languageEnglish
Title of host publicationGate Stack Scaling
Subtitle of host publicationMaterials Selection, Role of Interfaces, and Reliability Implications
Number of pages6
Publication statusPublished - 2006 Dec 1
Event2006 MRS Spring Meeting - San Francisco, CA, United States
Duration: 2006 Apr 182006 Apr 20

Publication series

NameMaterials Research Society Symposium Proceedings
ISSN (Print)0272-9172


Other2006 MRS Spring Meeting
Country/TerritoryUnited States
CitySan Francisco, CA

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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