Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1613242 | Journal of Alloys and Compounds | 2013 | 5 Pages |
Abstract
The structural properties of intermetallic Ho3Fe29−xCrx have been studied by using ab initio pair potentials obtained by the lattice inversion method. Calculated results show that in Ho3Fe29−xCrx, the order of site preference is 4g(Fe6), 4i(Fe3) and 4i(Fe2), and the calculated lattice constants coincide quite well with experimental values. The evolution process from ordered Ho3Fe29 to disordered Ho2Fe17 (Th2Ni17-type) is evaluated. The structural properties of the disordered Ho2Fe17 compound, including lattice constants and X-ray diffraction have been calculated, and the lattice constants are in good agreement with experiments.
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
Jing Sun, Ping Qian, Jiang Shen, Jin-Chun Li, Shuo Huang,