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Applied Physics Letters / Volume 91 / Issue 13 / DIELECTRICS AND FERROELECTRICITY

Appl. Phys. Lett. 91, 132904 (2007); http://dx.doi.org/10.1063/1.2789392 (3 pages)

Suppression of oxygen vacancy formation in Hf-based high-k dielectrics by lanthanum incorporation

N. Umezawa1, K. Shiraishi2, S. Sugino3, A. Tachibana3, K. Ohmori4, K. Kakushima5, H. Iwai5, T. Chikyow1, T. Ohno6, Y. Nara7, and K. Yamada8

1Advanced Electronic Materials Center, National Institute for Materials Science, Tsukuba 305-0044, Japan
2Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571, Japan
3Department of Micro Engineering, Kyoto University, Kyoto 606-8501, Japan
4Advanced Electronic Materials Center, National Institute for Materials Science, Tsukuba 305-0044, Japan and Nanotechnology Research Laboratories, Waseda University, Tokyo 169-0041, Japan
5Frontier Collaborative Research Center, Tokyo Institute of Technology, Kanagawa, 226-8502, Japan
6Computational Materials Science Center, National Institute for Materials Science, Tsukuba 305-0047, Japan
7Semiconductor Leading Edge Technology, Inc., Tsukuba 305-8569, Japan
8Nanotechnology Research Laboratories, Waseda University, Tokyo 169-0041, Japan

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(Received 29 July 2007; accepted 3 September 2007; published online 25 September 2007)

The effects of lanthanum incorporation into HfO2 dielectrics were studied using first-principles total energy calculations. The author’s computational result clearly showed that the formation energy of a neutral oxygen vacancy (VO0) in the vicinity of substitutional La atoms at Hf sites is 0.7 eV larger than that in pure HfO2, indicating that the concentration of VO0’s is drastically reduced by La incorporation. This effect is understood to be caused by the decrease in the local dielectric constant κL around La atoms due to the strong ionic character of the La–O bond compared to the Hf–O bond.

© 2007 American Institute of Physics

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KEYWORDS and PACS

Keywords

ab initio calculations, hafnium compounds, high-k dielectric thin films, lanthanum, permittivity, total energy, vacancies (crystal)

PACS

  • 61.72.J-

    Point defects and defect clusters

  • 68.55.Ln

    Defects and impurities: doping, implantation, distribution, concentration, etc.

  • 77.55.-g

    Dielectric thin films

  • 77.22.Ch

    Permittivity (dielectric function)

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.2789392

PUBLICATION DATA

ISSN

0003-6951 (print)  
1077-3118 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

For access to fully linked references, you need to log in.
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