Journal
PHYSICAL REVIEW B
Volume 98, Issue 22, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.98.220101
Keywords
-
Funding
- US Department of Energy by Lawrence Livermore National Security, LLC [DE-AC52-07NA27344]
- LLNL LDRD program [16-ERD-037, 18-LW-036]
- US NSF [EAR-1128799]
- DOE Geosciences [DE-FG02-94ER14466]
- Office of Science, BES of DOE [DE-AC02-05CH11231, DE-AC02-06CH11357]
Ask authors/readers for more resources
We have performed a detailed x-ray diffraction structural study of Zr under pressure and unambiguously identify the existence of a first-order isostructural bcc-to-bcc phase transition near 58 GPa. First-principles quantum molecular dynamics calculations support the existence of this phase transition, in excellent agreement with experimental results, triggered by anharmonic effects. Our results highlight the potential ubiquity of anharmonically driven isostructural transitions within the periodic table under pressure and call for follow-up experimental and theoretical studies.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available