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

N. Umezawa; K. Shiraishi; S. Sugino; A. Tachibana; K. Ohmori; K. Kakushima; H. Iwai; T. Chikyow; T. Ohno; Y. Nara; K. Yamada

doi:10.1063/1.2789392

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

N. Umezawa, K. Shiraishi, S. Sugino, A. Tachibana, K. Ohmori, K. Kakushima, H. Iwai, T. Chikyow, T. Ohno, Y. Nara, K. Yamada

Advanced Institute for Materials Research (AIMR)

Research output: Contribution to journal › Article › peer-review

62 Citations (Scopus)

Abstract

The effects of lanthanum incorporation into Hf O2 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 Hf O2, 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.

Original language	English
Article number	132904
Journal	Applied Physics Letters
Volume	91
Issue number	13
DOIs	https://doi.org/10.1063/1.2789392
Publication status	Published - 2007

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

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10.1063/1.2789392

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@article{f21faf4be83e47ab9f27aa355faaa633,

title = "Suppression of oxygen vacancy formation in Hf-based high- k dielectrics by lanthanum incorporation",

abstract = "The effects of lanthanum incorporation into Hf O2 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 Hf O2, 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.",

author = "N. Umezawa and K. Shiraishi and S. Sugino and A. Tachibana and K. Ohmori and K. Kakushima and H. Iwai and T. Chikyow and T. Ohno and Y. Nara and K. Yamada",

note = "Funding Information: This work was partly supported by the High- Network in cooperation with academic, industry, and governmental institutes, and a Grant-in-Aid for Scientific Research No. 18360017 from MEXT. One of the authors (N.U.) would like to thank Prof. T. Nakayama, Dr. M. Otani, and Dr. K. Kamiya for their useful advice.",

year = "2007",

doi = "10.1063/1.2789392",

language = "English",

volume = "91",

journal = "Applied Physics Letters",

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TY - JOUR

T1 - Suppression of oxygen vacancy formation in Hf-based high- k dielectrics by lanthanum incorporation

AU - Umezawa, N.

AU - Shiraishi, K.

AU - Sugino, S.

AU - Tachibana, A.

AU - Ohmori, K.

AU - Kakushima, K.

AU - Iwai, H.

AU - Chikyow, T.

AU - Ohno, T.

AU - Nara, Y.

AU - Yamada, K.

N1 - Funding Information: This work was partly supported by the High- Network in cooperation with academic, industry, and governmental institutes, and a Grant-in-Aid for Scientific Research No. 18360017 from MEXT. One of the authors (N.U.) would like to thank Prof. T. Nakayama, Dr. M. Otani, and Dr. K. Kamiya for their useful advice.

PY - 2007

Y1 - 2007

N2 - The effects of lanthanum incorporation into Hf O2 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 Hf O2, 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.

AB - The effects of lanthanum incorporation into Hf O2 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 Hf O2, 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.

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DO - 10.1063/1.2789392

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ER -

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

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