Structural, elastic, electronic and magnetic properties of Fe3AC; A = Al, Ga and In
We report first principle calculations on the structural, electronic and magnetic properties of antiperovskite Fe3AC; A = Al, Ga and In. Calculations show that these compounds are more stable in the magnetic states, the estimated equilibrium lattice parameters (a and V) are in agreement with the exp...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
EDP Sciences
2013-09-01
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| Series: | MATEC Web of Conferences |
| Online Access: | http://dx.doi.org/10.1051/matecconf/20130504042 |