Persistence of Covalent Bonding in Liquid Silicon Probed by Inelastic X-ray Scattering
Materials Science
2012-03-08 v1
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.
Keywords
Cite
@article{arxiv.1201.0401,
title = {Persistence of Covalent Bonding in Liquid Silicon Probed by Inelastic X-ray Scattering},
author = {J. T. Okada and P. H. -L. Sit and Y. Watanabe and Y. J. Wang and B. Barbiellini and T. Ishikawa and M. Itou and Y. Sakurai and A. Bansil and R. Ishikawa and M. Hamaishi and T. Masaki and P. -F. Paradis and K. Kimura and T. Ishikawa and S. Nanao},
journal= {arXiv preprint arXiv:1201.0401},
year = {2012}
}
Comments
5pages, 3 postscript figures