Export citation

Export citation

Choose format for download:

Download Citation

    Multimegabar stability of bcc antimony and high-pressure systematics of neighboring group-15 elements

    Olivia S. Pardo1,*, Per Söderlind1, Jesse S. Smith2, Zsolt Jenei1, and Earl F. O’Bannon, III1

    • *Contact author: pardo3@llnl.gov

    Phys. Rev. B 114, 144104 – Published 10 September, 2026

    DOI: https://doi.org/10.1103/c1ll-52qj

    Abstract

    We extend the equation of state and phase stability of body-centered cubic (bcc) antimony (Sb) into the multimegabar regime using both first-principles calculations up to 436 GPa and experimental synchrotron x-ray diffraction in the diamond-anvil cell up to 258(6) GPa using Ne as a soft pressure-transmitting medium. We observe the complete sequence of pressure-induced phase transitions from Sb's A7 rhombohedral phase through the intermediate pressure incommensurate structures, including evidence for Sb-IV, and identify the onset of the bcc phase between 28.9(5) and 30.3(6) GPa. The high-pressure volumetric response of the bcc phase was fit to a third-order Vinet equation of state with parameters of V0=26.28(32)Å3/atom, K0=66.50(47)GPa, and K′=4.97(2). Density-functional theory confirms the stability and characterizes the elastic properties of bcc Sb up to 436 GPa. A Comparison with bcc As and Bi highlights the systematic trends in compressibility and electronic structure across these group-15 elements.

    Physics Subject Headings (PhySH)

    Authorization Required

    We need you to provide your credentials before accessing this content.

    Supplemental Material (Subscription Required)

    References (Subscription Required)

    Outline

    Information

    Sign In to Your Journals Account

    Filter

    Filter

    Article Lookup

    Enter a citation