2017/01/14 by Y. Lu, Yong Lu, Tao Sun +9 · 2 citations
Earth and Planetary Sciences · Physics and Astronomy · #Anharmonicity #Beryllium #Condensed matter physics #High-pressure geophysics and materials #Materials science #Melting point #Nuclear physics #Phase (matter) #Phase diagram #Phase transition #Phonon #Physics #Premelting #Quantum mechanics #Quasiparticle #Rare-earth and actinide compounds #Superconductivity #Superconductivity in MgB2 and Alloys #Thermodynamics #Work (physics) #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevlett.118.145702
published as Phys. Rev. Lett. 118, 145702 (2017) · 5 pages, 4 figures
arxiv created 2017/01/14 · openalex publication_date 2017/04/07 · arxiv updated 2017/04/12 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/06
Beryllium (Be) is an important material with wide applications ranging from aerospace components to x-ray equipment. Yet a precise understanding of its phase diagram remains elusive. We have investigated the phase stability of Be using a recently developed hybrid free energy computation method that accounts for anharmonic effects by invoking phonon quasiparticles. We find that the hcp → bcc transition occurs near the melting curve at 0<P<11 GPa with a positive Clapeyron slope of 41±4 K/GPa, which is more consistent with recent experimental measurements. This work also demonstrates the validity of this theoretical framework based on the phonon quasiparticle to study the structural stability and phase transitions in strongly anharmonic materials.