Hafnium 4f core-level shifts caused by nitrogen incorporation in Hf-based high-k gate dielectrics

Naoto Umezawa, Kenji Shiraishi, Seiichi Miyazaki, Takahisa Ohno, Toyohiro Chikyow, Keisaku Yamada, Yasuo Nara

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

Hafnium (Hf) 4f core-level binding energy shifts caused by Hf-N bond formation in hafnium oxynitride (HfOxNy) have been studied by first-principles calculations. Our computational results clearly showed that the Hf 4f core-level binding energies are reduced by 0.36 and 0.65 eV for Hf-N and N-Hf-N bond formation, respectively. These results are in good agreement with chemical shifts observed in the X-ray photoelectron spectroscopy (XPS) of HfOxNy films deposited on a Si(100) substrate. In the present work, we demonstrate that the first-principles calculation is a useful tool to clarify chemical environments of Hf-based high-k gate dielectrics.

Original languageEnglish
Pages (from-to)3507-3509
Number of pages3
JournalJapanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Volume46
Issue number6 A
DOIs
Publication statusPublished - 2007 Jun 6
Externally publishedYes

Keywords

  • Chemical shift
  • HfO
  • High-k dielectrics
  • Nitrogen incorporation

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)

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