Crystal Structure and Lattice Dynamics of Fe-Si Alloys under High Pressure

POSTER

Abstract

The crystal structure and lattice dynamics of Fe-Si alloys under high pressures up to 115 GPa are studied by first- principles density functional theory (DFT) calculations. Our results agree well with the X-ray diffraction and nuclear inelastic x-ray scattering experiment. The calculated thermodynamic properties and sound velocities give new insights to the studies of Earth's core.

Authors

  • Yi Zhang

    • Department of Physics, University of Nevada, Las Vegas
    • Department of Physics and Astronomy and HiPSEC, University of Nevada, Las Vegas

  • Ravhi Kumar

    • University of Nevada, Las Vegas
    • Department of Physics, University of Nevada, Las Vegas
    • Department of Physics and Astronomy and HiPSEC, University of Nevada, Las Vegas

  • Zackari Fisk

    • Department of Physics and Astronomy, University of California, Irvine

  • Yuming Xiao

    • HPCAT and Carnegie Institution of Washington,Advanced Photon Source, Argonne National Laboratory, Argonne

  • Michael Hu

    • HPCAT and Carnegie Institution of Washington,Advanced Photon Source, Argonne National Laboratory, Argonne

  • Paul Chow

    • HPCAT and Carnegie Institution of Washington,Advanced Photon Source, Argonne National Laboratory, Argonne

  • Andrew Cornelius

    • Department of Physics and Astronomy and HiPSEC, University of Nevada, Las Vegas

  • Changfeng Chen

    • Department of Physics and Astronomy and HiPSEC, University of Nevada, Las Vegas