Persistence of covalent bonding in liquid silicon probed by inelastic x-ray scattering

J. T. Okada; P. H.L. Sit; Y. Watanabe; Y. J. Wang; B. Barbiellini; T. Ishikawa; M. Itou; Y. Sakurai; A. Bansil; R. Ishikawa; M. Hamaishi; T. Masaki; P. F. Paradis; K. Kimura; T. Ishikawa; S. Nanao

doi:10.1103/PhysRevLett.108.067402

Persistence of covalent bonding in liquid silicon probed by inelastic x-ray scattering

J. T. Okada, P. H.L. Sit, Y. Watanabe, Y. J. Wang, B. Barbiellini, T. Ishikawa, M. Itou, Y. Sakurai, A. Bansil, R. Ishikawa, M. Hamaishi, T. Masaki, P. F. Paradis, K. Kimura, T. Ishikawa, S. Nanao

研究成果: Article › 査読

58 被引用数 (Scopus)

抄録

Metallic liquid silicon at 1787 K is investigated using x-ray Compton scattering. An excellent agreement is found between the measurements and the corresponding Car-Parrinello molecular dynamics simulations. Our results show persistence of covalent bonding in liquid silicon and provide support for the occurrence of theoretically predicted liquid-liquid phase transition in supercooled liquid states. The population of covalent bond pairs in liquid silicon is estimated to be 17% via a maximally localized Wannier function analysis. Compton scattering is shown to be a sensitive probe of bonding effects in the liquid state.

本文言語	English
論文番号	067402
ジャーナル	Physical Review Letters
巻	108
号	6
DOI	https://doi.org/10.1103/PhysRevLett.108.067402
出版ステータス	Published - 2012 2月 8

ASJC Scopus subject areas

物理学および天文学（全般）

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10.1103/PhysRevLett.108.067402

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Okada, J. T., Sit, P. H. L., Watanabe, Y., Wang, Y. J., Barbiellini, B., Ishikawa, T., Itou, M., Sakurai, Y., Bansil, A., Ishikawa, R., Hamaishi, M., Masaki, T., Paradis, P. F., Kimura, K., Ishikawa, T., & Nanao, S. (2012). Persistence of covalent bonding in liquid silicon probed by inelastic x-ray scattering. Physical Review Letters, 108(6), [067402]. https://doi.org/10.1103/PhysRevLett.108.067402

Okada, JT, Sit, PHL, Watanabe, Y, Wang, YJ, Barbiellini, B, Ishikawa, T, Itou, M, Sakurai, Y, Bansil, A, Ishikawa, R, Hamaishi, M, Masaki, T, Paradis, PF, Kimura, K, Ishikawa, T & Nanao, S 2012, 'Persistence of covalent bonding in liquid silicon probed by inelastic x-ray scattering', Physical Review Letters, vol. 108, no. 6, 067402. https://doi.org/10.1103/PhysRevLett.108.067402

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abstract = "Metallic liquid silicon at 1787 K is investigated using x-ray Compton scattering. An excellent agreement is found between the measurements and the corresponding Car-Parrinello molecular dynamics simulations. Our results show persistence of covalent bonding in liquid silicon and provide support for the occurrence of theoretically predicted liquid-liquid phase transition in supercooled liquid states. The population of covalent bond pairs in liquid silicon is estimated to be 17% via a maximally localized Wannier function analysis. Compton scattering is shown to be a sensitive probe of bonding effects in the liquid state.",

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AU - Okada, J. T.

AU - Sit, P. H.L.

AU - Watanabe, Y.

AU - Wang, Y. J.

AU - Barbiellini, B.

AU - Ishikawa, T.

AU - Itou, M.

AU - Sakurai, Y.

AU - Bansil, A.

AU - Ishikawa, R.

AU - Hamaishi, M.

AU - Masaki, T.

AU - Paradis, P. F.

AU - Kimura, K.

AU - Ishikawa, T.

AU - Nanao, S.

PY - 2012/2/8

Y1 - 2012/2/8

N2 - Metallic liquid silicon at 1787 K is investigated using x-ray Compton scattering. An excellent agreement is found between the measurements and the corresponding Car-Parrinello molecular dynamics simulations. Our results show persistence of covalent bonding in liquid silicon and provide support for the occurrence of theoretically predicted liquid-liquid phase transition in supercooled liquid states. The population of covalent bond pairs in liquid silicon is estimated to be 17% via a maximally localized Wannier function analysis. Compton scattering is shown to be a sensitive probe of bonding effects in the liquid state.

AB - Metallic liquid silicon at 1787 K is investigated using x-ray Compton scattering. An excellent agreement is found between the measurements and the corresponding Car-Parrinello molecular dynamics simulations. Our results show persistence of covalent bonding in liquid silicon and provide support for the occurrence of theoretically predicted liquid-liquid phase transition in supercooled liquid states. The population of covalent bond pairs in liquid silicon is estimated to be 17% via a maximally localized Wannier function analysis. Compton scattering is shown to be a sensitive probe of bonding effects in the liquid state.

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Persistence of covalent bonding in liquid silicon probed by inelastic x-ray scattering

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