Defect states in epitaxial HfO2 films induced by atomic transport from n-GaAs (100) substrate

C. Y. Kim; K. S. Jeong; Y. S. Kang; S. W. Cho; M. H. Cho; K. B. Chung; D. H. Ko; Y. Yi; H. Kim

doi:10.1063/1.3596521

Defect states in epitaxial HfO₂ films induced by atomic transport from n-GaAs (100) substrate

C. Y. Kim, K. S. Jeong, Y. S. Kang, S. W. Cho, M. H. Cho, K. B. Chung, D. H. Ko, Y. Yi, H. Kim

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

11 Citations (Scopus)

Abstract

We investigated the chemical states and nature of the defect states below the conduction band edge of HfO₂ films grown on GaAs (100) substrates using high-resolution x-ray photoelectron spectroscopy (HRXPS), x-ray absorption spectroscopy (XAS), and density functional theory calculations. O K₁-edge absorption spectra of the HfO₂/GaAs film revealed two distinct conduction band edge defect states, located at 1.6±0.2 eV and 3.0±0.2 eV below the conduction band edge in HfO₂. The combined XAS and HRXPS results as a function of post-deposition annealing temperature indicated that the changes in defect states below the conduction band edge of HfO₂ were correlated with the extent of interfacial chemical reactions between the HfO₂ film and the GaAs substrate. Spectroscopic and theoretical results revealed that the two conduction band defect states are caused by (i) diffused Ga-O states, Hf³⁺ states, and (ii) an O divacancy related to the As-O states, respectively.

Original language	English
Article number	114112
Journal	Journal of Applied Physics
Volume	109
Issue number	11
DOIs	https://doi.org/10.1063/1.3596521
Publication status	Published - 2011 Jun 1

Bibliographical note

Funding Information:
The DFT calculations were performed using VASP. This work was partially supported by an Industry-Academy joint research program between Samsung Electronics -Yonsei University and a grant from the Ministry of Knowledge Economy (MKE) of Korea “Next-generation substrate technology for high performance semiconductor devices” (No. KI002083). This research was partially supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (2010-0011141).

All Science Journal Classification (ASJC) codes

Physics and Astronomy(all)

Access to Document

10.1063/1.3596521

Cite this

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title = "Defect states in epitaxial HfO2 films induced by atomic transport from n-GaAs (100) substrate",

abstract = "We investigated the chemical states and nature of the defect states below the conduction band edge of HfO2 films grown on GaAs (100) substrates using high-resolution x-ray photoelectron spectroscopy (HRXPS), x-ray absorption spectroscopy (XAS), and density functional theory calculations. O K1-edge absorption spectra of the HfO2/GaAs film revealed two distinct conduction band edge defect states, located at 1.6±0.2 eV and 3.0±0.2 eV below the conduction band edge in HfO2. The combined XAS and HRXPS results as a function of post-deposition annealing temperature indicated that the changes in defect states below the conduction band edge of HfO2 were correlated with the extent of interfacial chemical reactions between the HfO2 film and the GaAs substrate. Spectroscopic and theoretical results revealed that the two conduction band defect states are caused by (i) diffused Ga-O states, Hf3+ states, and (ii) an O divacancy related to the As-O states, respectively.",

author = "Kim, {C. Y.} and Jeong, {K. S.} and Kang, {Y. S.} and Cho, {S. W.} and Cho, {M. H.} and Chung, {K. B.} and Ko, {D. H.} and Y. Yi and H. Kim",

note = "Funding Information: The DFT calculations were performed using VASP. This work was partially supported by an Industry-Academy joint research program between Samsung Electronics -Yonsei University and a grant from the Ministry of Knowledge Economy (MKE) of Korea “Next-generation substrate technology for high performance semiconductor devices” (No. KI002083). This research was partially supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (2010-0011141).",

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AU - Kim, C. Y.

AU - Jeong, K. S.

AU - Kang, Y. S.

AU - Cho, S. W.

AU - Cho, M. H.

AU - Chung, K. B.

AU - Ko, D. H.

AU - Yi, Y.

AU - Kim, H.

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PY - 2011/6/1

Y1 - 2011/6/1

N2 - We investigated the chemical states and nature of the defect states below the conduction band edge of HfO2 films grown on GaAs (100) substrates using high-resolution x-ray photoelectron spectroscopy (HRXPS), x-ray absorption spectroscopy (XAS), and density functional theory calculations. O K1-edge absorption spectra of the HfO2/GaAs film revealed two distinct conduction band edge defect states, located at 1.6±0.2 eV and 3.0±0.2 eV below the conduction band edge in HfO2. The combined XAS and HRXPS results as a function of post-deposition annealing temperature indicated that the changes in defect states below the conduction band edge of HfO2 were correlated with the extent of interfacial chemical reactions between the HfO2 film and the GaAs substrate. Spectroscopic and theoretical results revealed that the two conduction band defect states are caused by (i) diffused Ga-O states, Hf3+ states, and (ii) an O divacancy related to the As-O states, respectively.

AB - We investigated the chemical states and nature of the defect states below the conduction band edge of HfO2 films grown on GaAs (100) substrates using high-resolution x-ray photoelectron spectroscopy (HRXPS), x-ray absorption spectroscopy (XAS), and density functional theory calculations. O K1-edge absorption spectra of the HfO2/GaAs film revealed two distinct conduction band edge defect states, located at 1.6±0.2 eV and 3.0±0.2 eV below the conduction band edge in HfO2. The combined XAS and HRXPS results as a function of post-deposition annealing temperature indicated that the changes in defect states below the conduction band edge of HfO2 were correlated with the extent of interfacial chemical reactions between the HfO2 film and the GaAs substrate. Spectroscopic and theoretical results revealed that the two conduction band defect states are caused by (i) diffused Ga-O states, Hf3+ states, and (ii) an O divacancy related to the As-O states, respectively.

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