Electronic structure of transition metal high-k dielectrics: Interfacial band offset energies for microelectronic devices

Gerald Lucovsky, Gilbert B. Rayner, Yu Zhang, Charles C. Fulton, Robert J. Nemanich, Guenther Appel, Harald Ade, Jerry L. Whitten

Research output: Contribution to journalArticle

22 Scopus citations

Abstract

Transition metal silicates, (ZrO 2 ) x (SiO 2 ) 1-x , have dielectric constants k > 10 that make them attractive for advanced Si devices. Band offset energies relative to Si are an important factor in determining tunneling leakage current, and internal photoemission. Studies by X-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy (AES) and X-ray absorption spectroscopy (XAS) are combined with ab initio calculations to identify the compositional variation of the band-gap, and valence and conduction band offset energies of Zr silicate alloys with respect to Si. The minimum conduction band offset, due to Zr 4d * states, is shown to be independent of alloy composition, while valence band offsets decrease monotonically with increasing ZrO 2 content. The implications of these results for direct tunneling are discussed.

Original languageEnglish (US)
Pages (from-to)563-569
Number of pages7
JournalApplied Surface Science
Volume212-213
Issue numberSPEC.
DOIs
StatePublished - May 15 2003
Externally publishedYes

Keywords

  • Ab initio quantum chemical calculations
  • Auger electron spectroscopy
  • Plasma processing
  • Semiconductor-insulator interfaces
  • X-ray absorption spectroscopy
  • X-ray photoelectron spectroscopy
  • Zirconium silicate alloys

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Physics and Astronomy(all)
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films

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