First principles study of structural, electronic and mechanical properties of ternary Ru-Cr-X alloys
We have investigated the effect of doping on the structural, electronic and mechanical properties of A15 RuCr3 and A15 Ru3Cr alloys using density functional theory. Various transition metal dopants, namely V, Mn, Fe, Co, Zr, Mo, Pd, Pt and Re were introduced in the 2x2x2 supercells constructed from...
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| Format: | Others |
| Language: | en |
| Published: |
2020
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| Online Access: | http://hdl.handle.net/10500/26298 |