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- Title
High-pressure neutron diffraction study of BaFeAs.
- Authors
Jørgensen, J.-E.; Hansen, T. C.
- Abstract
The crystal structure of BaFeAs was studied by high-pressure neutron powder diffraction in the pressure range from ambient to 6.5 GPa as well as in the temperature range from 12 K to 293 K at 4.4 GPa and no pressure or temperature induced phase changes were observed. The compression mechanism of BaFeAs was found to be anisotropic as the a- and c-axes are reduced by 2.49 and 3.66%, respectively at 6.5 GPa. Within the FeAs layers the Fe-As and Fe-Fe bonds decrease by 2.49 and 3.66%, respectively. The Ba-As distance decreases by 3.70% while the As-As inter-atomic distance along the c-axis exhibits a complex pressure dependence. The bulk modulus B and its pressure derivative B' were determined to be B = 59(2) GPa and B' = 6.1(7) at ambient temperature.
- Subjects
MOLECULAR structure; BARIUM compounds; NEUTRON diffraction; METAL powders; HIGH pressure (Technology); PHASE transitions; TEMPERATURE effect
- Publication
European Physical Journal B: Condensed Matter, 2010, Vol 78, Issue 4, p411
- ISSN
1434-6028
- Publication type
Article
- DOI
10.1140/epjb/e2010-10522-1