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Site preference, magnetism and lattice vibrations of intermetallics M7−x T x B3 (M = Rh, Ru; T = Fe, Co).
- Source :
-
Intermetallics . Nov2013, Vol. 42, p112-119. 8p. - Publication Year :
- 2013
-
Abstract
- Abstract: The intermetallics M7B3 (M = Rh, Ru) have been studied to ascertain the effect of partial replacement of M by T (T = 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 M7−x T x B3 compounds. Besides, the phonon density of states of M7−x T x B3, the according specific heat, vibrational entropy and Debye temperature are calculated, and a qualitative analysis with pair potentials is also carried out. [Copyright &y& Elsevier]
Details
- Language :
- English
- ISSN :
- 09669795
- Volume :
- 42
- Database :
- Academic Search Index
- Journal :
- Intermetallics
- Publication Type :
- Academic Journal
- Accession number :
- 89614325
- Full Text :
- https://doi.org/10.1016/j.intermet.2013.05.012