Persistence of Covalent Bonding in Liquid Silicon Probed by Inelastic X-ray Scattering
arXiv:1201.0401 · doi:10.1103/PhysRevLett.108.067402
Abstract
Metallic liquid silicon at 1787K 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.
5pages, 3 postscript figures
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Cited by in corpus (11)
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