Title of article
Site preference, magnetism and lattice vibrations of intermetallics M7−xTxB3 (M = Rh, Ru; T = Fe, Co)
Author/Authors
Wang، نويسنده , , Xiao-Xu and Qian، نويسنده , , Ping and Zhang، نويسنده , , Zhen-Feng and Liu، نويسنده , , Ying and Shen، نويسنده , , Jiang and Chen، نويسنده , , Nan-Xian، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2013
Pages
8
From page
112
To page
119
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−xTxB3 compounds. Besides, the phonon density of states of M7−xTxB3, the according specific heat, vibrational entropy and Debye temperature are calculated, and a qualitative analysis with pair potentials is also carried out.
Keywords
D. Site occupancy , A. Intermetallics , B. Magnetic properties , E. Phase stability
Journal title
Intermetallics
Serial Year
2013
Journal title
Intermetallics
Record number
1505741
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