Sodium under pressure: bcc to fcc structural transition and pressure-volume relation to 100 GPa

2002/05/13 by Michael Hanfland, I. Loa, K. Syassen · 5 citations
Earth and Planetary Sciences · Physics and Astronomy · Materials Science · #High-pressure geophysics and materials #Advanced Chemical Physics Studies #X-ray Diffraction in Crystallography

paper · doi:10.1103/physrevb.65.184109

openalex publication_date 2002/05/13 · openalex created_date 2025/10/10 · openalex updated_date 2026/06/11

Abstract

The pressure-volume relation of sodium is measured up to 100 GPa using high-resolution angle-dispersive synchrotron x-ray diffraction. At a pressure of 65(1) GPa Na is found to undergo a structural phase transition from a body-centered to a face-centered-cubic modification. Total-energy calculations of Na under pressure are performed using the full-potential linearized augmented plane-wave method. The calculated pressure-volume relations and the bcc-fcc transition pressure are compared to the experimental results.

Citations

• Generalized Gradient Approximation Made Simple
• Full-potential, linearized augmented plane wave programs for crystalline systems
• Calibration of the ruby pressure gauge to 800 kbar under quasi‐hydrostatic conditions
• Finite strain isotherm and velocities for single‐crystal and polycrystalline NaCl at high pressures and 300°K
• On the Constitution of Metallic Sodium
• Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

Cited by

• Structural Diversity of Sodium
• Structure of sodium above 100 GPa by single-crystal x-ray diffraction
• A stable compound of helium and sodium at high pressure
• Metallic high-pressure modifications of main group elements
• Allotropy [wikipedia]