Atomic structure of SiO2 at SiO2/Si interfaces

K. Hirose; H. Nohira; K. Sakano; T. Hattori

doi:10.1016/S0169-4332(00)00469-4

Atomic structure of SiO₂ at SiO₂/Si interfaces

K. Hirose, H. Nohira, K. Sakano, T. Hattori

研究成果: Article › 査読

7 被引用数 (Scopus)

抄録

The valence-band and O 2s core-level spectra of ultrathin (about 1 nm) SiO₂ layers formed in the initial stages of the oxidation of Si(100) substrates were measured by high-resolution X-ray photoelectron spectroscopy (XPS), and the energy difference between the bonding states in the valence-band and the core-level was found to be larger than the corresponding difference for the bulk SiO₂. The energy difference between the top of the valence-band and the core-level was also found to be larger than that for the bulk SiO₂. From the first-principle molecular orbital (MO) calculations for SiO₂ model clusters, (Si₅O₁₆H₁₂), it was concluded that the atomic structure of SiO₂ at the SiO₂/Si interfaces is characterized by a narrow intertetrahedral bond angle, about 135°.

本文言語	English
ページ（範囲）	455-459
ページ数	5
ジャーナル	Applied Surface Science
巻	166
号	1
DOI	https://doi.org/10.1016/S0169-4332(00)00469-4
出版ステータス	Published - 2000 10 9

ASJC Scopus subject areas

Chemistry(all)
Condensed Matter Physics
Physics and Astronomy(all)
Surfaces and Interfaces
Surfaces, Coatings and Films

文献へのアクセス

10.1016/S0169-4332(00)00469-4

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引用スタイル

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title = "Atomic structure of SiO2 at SiO2/Si interfaces",

abstract = "The valence-band and O 2s core-level spectra of ultrathin (about 1 nm) SiO2 layers formed in the initial stages of the oxidation of Si(100) substrates were measured by high-resolution X-ray photoelectron spectroscopy (XPS), and the energy difference between the bonding states in the valence-band and the core-level was found to be larger than the corresponding difference for the bulk SiO2. The energy difference between the top of the valence-band and the core-level was also found to be larger than that for the bulk SiO2. From the first-principle molecular orbital (MO) calculations for SiO2 model clusters, (Si5O16H12), it was concluded that the atomic structure of SiO2 at the SiO2/Si interfaces is characterized by a narrow intertetrahedral bond angle, about 135°.",

author = "K. Hirose and H. Nohira and K. Sakano and T. Hattori",

note = "Funding Information: We are grateful to H. Adachi and M. Uda for providing us the DV-Xα code. We also thank M. Tajima and S. Ohnishi for their continuous encouragement and thank M. Katayama for supplying the Si wafers we used. This work was partially supported by the Ministry of Education, Science, Sports and Culture through a 1996–1998 grant-in-aid for Scientific Research (B) (No. 08455023) and a 1998–2000 grant-in-aid for Scientific Research (B) (No. 10450020).",

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AU - Hirose, K.

AU - Nohira, H.

AU - Sakano, K.

AU - Hattori, T.

N1 - Funding Information: We are grateful to H. Adachi and M. Uda for providing us the DV-Xα code. We also thank M. Tajima and S. Ohnishi for their continuous encouragement and thank M. Katayama for supplying the Si wafers we used. This work was partially supported by the Ministry of Education, Science, Sports and Culture through a 1996–1998 grant-in-aid for Scientific Research (B) (No. 08455023) and a 1998–2000 grant-in-aid for Scientific Research (B) (No. 10450020).

PY - 2000/10/9

Y1 - 2000/10/9

N2 - The valence-band and O 2s core-level spectra of ultrathin (about 1 nm) SiO2 layers formed in the initial stages of the oxidation of Si(100) substrates were measured by high-resolution X-ray photoelectron spectroscopy (XPS), and the energy difference between the bonding states in the valence-band and the core-level was found to be larger than the corresponding difference for the bulk SiO2. The energy difference between the top of the valence-band and the core-level was also found to be larger than that for the bulk SiO2. From the first-principle molecular orbital (MO) calculations for SiO2 model clusters, (Si5O16H12), it was concluded that the atomic structure of SiO2 at the SiO2/Si interfaces is characterized by a narrow intertetrahedral bond angle, about 135°.

AB - The valence-band and O 2s core-level spectra of ultrathin (about 1 nm) SiO2 layers formed in the initial stages of the oxidation of Si(100) substrates were measured by high-resolution X-ray photoelectron spectroscopy (XPS), and the energy difference between the bonding states in the valence-band and the core-level was found to be larger than the corresponding difference for the bulk SiO2. The energy difference between the top of the valence-band and the core-level was also found to be larger than that for the bulk SiO2. From the first-principle molecular orbital (MO) calculations for SiO2 model clusters, (Si5O16H12), it was concluded that the atomic structure of SiO2 at the SiO2/Si interfaces is characterized by a narrow intertetrahedral bond angle, about 135°.

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