4.6 Article

Extended Frenkel pairs and band alignment at metal-oxide interfaces

Journal

PHYSICAL REVIEW B
Volume 79, Issue 12, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.125305

Keywords

catalysts; charge exchange; CMOS integrated circuits; dielectric materials; energy states; extended defects; Fermi level; Frenkel defects; hafnium compounds; interface structure; nickel; rhodium; work function

Funding

  1. National Science Foundation [DMR-0548182]
  2. Welch Foundation [F-1624]

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We show how oxygen vacancies in metal oxides next to high-work-function metals are stabilized by an oxygen exchange reaction with the metal, and by a charge transfer from the vacancy energy level to the metal Fermi level. The results help explain some of the Fermi-level pinning problems in high-k dielectric gate stacks in complimentary metal oxide semiconductor technology and also explain the driving force behind the strong metal-support interaction in oxide-supported catalysts.

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