Published December 2010
| Version v1
Journal article
Pressure effects on iron-based superconductors: A first-principles study
- 1. JST, Transformative Research-Project on Iron Pnictides (TRIP), Chiyoda, Tokyo 102-0075 (Japan)
- 2. CREST (JST), 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan)
- 3. Center for Computational Science and e-Systems, Japan Atomic Energy Agency, Tokyo 110-0015 (Japan)
Description
We investigate pressure effects on an iron-based superconductor LaFeAsO using first-principles calculations. As the pressure increases, we find a structural transition from the orthorhombic to the tetragonal crystal with disappearance of the antiferromagnetically ordered magnetic moment at 24 GPa in agreement with an experimental observation. Moreover, the calculations reveal that the structural transition is almost of the second order.
Availability note (English)
Available from http://dx.doi.org/10.1016/j.physc.2009.12.024Additional details
Identifiers
- DOI
- 10.1016/j.physc.2009.12.024;
- PII
- S0921-4534(09)00921-6;
Publishing Information
- Journal Title
- Physica. C, Superconductivity
- Journal Volume
- 470
- Journal Issue
- Suppl.1
- Journal Page Range
- p. S387-S388
- ISSN
- 0921-4534
- CODEN
- PHYCE6
Conference
- Title
- 9. international conference on materials and mechanisms of superconductivity
- Dates
- 7-12 Sep 2009
- Place
- Tokyo (Japan)
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 42069124
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- ARSENIC COMPOUNDS; COMPUTERIZED SIMULATION; CRYSTAL STRUCTURE; CRYSTALS; IRON COMPOUNDS; LANTHANUM COMPOUNDS; MAGNETIC MOMENTS; ORTHORHOMBIC LATTICES; OXYGEN COMPOUNDS; PNICTIDES; PRESSURE DEPENDENCE; PRESSURE RANGE GIGA PA; SUPERCONDUCTORS; TETRAGONAL LATTICES
- Descriptors DEC
- CRYSTAL LATTICES; CRYSTAL STRUCTURE; PRESSURE RANGE; RARE EARTH COMPOUNDS; SIMULATION; TRANSITION ELEMENT COMPOUNDS
Optional Information
- Copyright
- Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.