Stability of Si impurity in high-κ oxides

Naoto Umezawa, Kenji Shiraishi, Toyohiro Chikyow

Research output: Contribution to journalArticlepeer-review


The interface structure of a high permittivity (high-κ) oxide with Si substrate affects the electrical properties of the high-κ based transistors. Our theoretical analysis suggests that the formation of a SiO2 layer at the high-κ/Si interface originates from the instability of a Si impurity in the high-κ oxide. Our computational results revealed that the Si impurity is much more stable in La2O3 than in HfO2, indicating La2O3 is a silicate former, while SiO2 is likely to precipitate at the HfO2/Si interface.

Original languageEnglish
Pages (from-to)1780-1781
Number of pages2
JournalMicroelectronic Engineering
Issue number7-9
Publication statusPublished - 2009 Jul
Externally publishedYes


  • First-principles
  • High-κ
  • Si impurity

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Surfaces, Coatings and Films
  • Electrical and Electronic Engineering


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