Journal article
Electronic temperature driven phase stability and structural evolution of iron at high pressure
- Abstract:
-
We present Gibbs free-energy phase diagrams for compressed iron within a pressure range of 20 to 300 GPa and electronic temperature up to 3 eV obtained using finite-temperature density functional and density functional perturbation theories. Our results for bcc, fcc, and hcp phases predict solid-solid phase transitions in iron driven purely by electronic entropy and temperature. We found a phase transition from hcp to bcc at pressures above 200 GPa, which depends on the electronic temperature. An experimental observation of the stability of the bcc phase above 200 GPa by X-ray Free Electron Laser has recently been reported [1].
- Publication status:
- Published
- Peer review status:
- Peer reviewed
Actions
Access Document
- Files:
-
-
(Preview, Version of record, pdf, 7.1MB, Terms of use)
-
- Publisher copy:
- 10.1103/tm8g-1ld1
Authors
+ Engineering and Physical Sciences Research Council
More from this funder
- Funder identifier:
- https://ror.org/0439y7842
- Grant:
- EP/W010097/1
- Publisher:
- American Physical Society
- Journal:
- Physical Review B More from this journal
- Volume:
- 112
- Article number:
- 134103
- Publication date:
- 2025-10-23
- Acceptance date:
- 2025-10-09
- DOI:
- EISSN:
-
2469-9969
- ISSN:
-
2469-9950
- Language:
-
English
- Pubs id:
-
2299630
- Local pid:
-
pubs:2299630
- Deposit date:
-
2025-10-13
- ARK identifier:
Terms of use
- Copyright holder:
- Azadi and Vinko
- Copyright date:
- 2025
- Rights statement:
- Copyright © 2025 The Author(s). Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article’s title, journal citation, and DOI.
- Licence:
- CC Attribution (CC BY)
If you are the owner of this record, you can report an update to it here: Report update to this record