Persistence of covalent bonding in liquid silicon probed by inelastic x-ray scattering.
作者： J. T. Okada , P. H.-L. Sit , Y. Watanabe , Y. J. Wang , B. Barbiellini
DOI: 10.1103/PHYSREVLETT.108.067402
关键词:
摘要: Metallic liquid silicon at 1787 K is investigated using x-ray Compton scattering. An excellent agreement found between the measurements and corresponding Car-Parrinello molecular dynamics simulations. Our results show persistence of covalent bonding in provide support for occurrence theoretically predicted liquid-liquid phase transition supercooled states. The population bond pairs estimated to be 17% via a maximally localized Wannier function analysis. scattering shown sensitive probe effects state.
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