Oxygen vacancies in amorphous HfO2 and SiO2

Chioko Kaneta, Takahiro Yamasaki

研究成果: Conference contribution

1 被引用数 (Scopus)

抄録

Formation energies and electronic properties of oxygen vacancies (Vo's) in amorphous HfO2 gate dielectrics are investigated by employing the first-principles method based on the density functional theory. We have found that the formation energy of neutral oxygen vacancy in amorphous HfO2 distributes from 4.7 to 6.1 eV, most of which is lower than the value for cubic HfO2, 6.0 eV. We also investigated the stabilities of the Vo pairs in various charged state and compared with those in amorphous SiO2. We found that the Vo++ is stabilized in the vicinity of the Vo in SiO2. In HfO2, however, this does not happen. This suggests the difference of defect propagation mechanism in HfO2 and SiO2.

本文言語English
ホスト出版物のタイトルMaterials Science of High-K Dielectric Stacks - From Fundamentals to Technology
ページ1-7
ページ数7
出版ステータスPublished - 2008 12月 1
外部発表はい
イベント2008 MRS Spring Meeting - San Francisco, CA, United States
継続期間: 2008 3月 242008 3月 28

出版物シリーズ

名前Materials Research Society Symposium Proceedings
1073
ISSN(印刷版)0272-9172

Other

Other2008 MRS Spring Meeting
国/地域United States
CitySan Francisco, CA
Period08/3/2408/3/28

ASJC Scopus subject areas

  • 材料科学(全般)
  • 凝縮系物理学
  • 材料力学
  • 機械工学

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