Published January 10, 2007
| Version v1
Journal article
Stability of the hcp phase and temperature variation of the axial ratio of iron near Earth-core conditions
- 1. High Pressure Physics Division, Bhabha Atomic Research Centre, Trombay, 400085 (India)
- 2. Department of Earth and Planetary Science, University of California, Berkeley, CA 94720-4767 (United States)
- 3. Department of Geological Sciences, University of Michigan, 425 E University Avenue, Ann Arbor, MI 48109-1063 (United States)
Description
We theoretically document the stability of hcp iron for pressure-temperature conditions of the Earth's inner core by separately computing the electronic and phonon contributions to the free energy. These pseudopotential-based quasi-harmonic calculations reveal that the hcp phase remains stable compared to bcc and that the c/a ratio of lattice parameters exhibits only a modest temperature dependence at inner-core conditions
Additional details
Identifiers
- DOI
- 10.1088/0953-8984/19/1/016208;
- PII
- S0953-8984(07)31438-0;
Publishing Information
- Journal Title
- Journal of Physics. Condensed Matter
- Journal Volume
- 19
- Journal Issue
- 1
- Journal Page Range
- p. 016208
- ISSN
- 0953-8984
- CODEN
- JCOMEL
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 38075236
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- AXIAL RATIO; BCC LATTICES; FREE ENERGY; HCP LATTICES; IRON; LATTICE PARAMETERS; PHASE STABILITY; PHONONS; POTENTIALS; PRESSURE DEPENDENCE; TEMPERATURE DEPENDENCE; VARIATIONS
- Descriptors DEC
- CRYSTAL LATTICES; CRYSTAL STRUCTURE; CUBIC LATTICES; DIMENSIONLESS NUMBERS; ELEMENTS; ENERGY; HEXAGONAL LATTICES; METALS; PHYSICAL PROPERTIES; QUASI PARTICLES; STABILITY; THERMODYNAMIC PROPERTIES; TRANSITION ELEMENTS