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

47 引用 (Scopus)

抜粋

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.

元の言語English
記事番号067402
ジャーナルPhysical Review Letters
108
発行部数6
DOI
出版物ステータスPublished - 2012 2 8

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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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