| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7988739 | Intermetallics | 2013 | 8 Pages |
Abstract
The intermetallics M7B3 (MÂ =Â Rh, Ru) have been studied to ascertain the effect of partial replacement of M by T (TÂ =Â Fe, Co) on their phase stability and site preference. The calculated results show that Fe or Co atoms preferentially substitute M at the 2b sites. The calculated lattice parameters are in good agreement with the experimental data. We have calculated the electronic density of states and magnetic properties of M7âxTxB3 compounds. Besides, the phonon density of states of M7âxTxB3, the according specific heat, vibrational entropy and Debye temperature are calculated, and a qualitative analysis with pair potentials is also carried out.
Related Topics
Physical Sciences and Engineering
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Metals and Alloys
Authors
Xiao-Xu Wang, Ping Qian, Zhen-Feng Zhang, Ying Liu, Jiang Shen, Nan-Xian Chen,