Said azar 85-2017-197
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Transcript of Said azar 85-2017-197
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Unitcell structure
UnitcellstructureWhere Black FeGray TiGray TiWhite Sb
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Formation and cohesive energies of different Tix+1FeSb
Energy optimization for TiFeSb phases
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Spin-polarized band structure of
Ti1.75FeSb
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Spin-polarized DOS of Ti2FeSb and
Ti1.5FeSb alloys
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Atom-resolved DOSAtom-resolved DOS of
Ti1.25FeSb alloyAtom-resolved DOS of
Ti1.75FeSb alloy
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Conclusions� The two structures Ti1.75FeSb and Ti2FeSb could be
half-metallic candidates.
� The TiFeSb alloy has a very complex structure and still need more structure investigation.still need more structure investigation.
� These compounds series have a diverse electric and magnetic properties.
� The change of number Ti atoms in alloy affect its stability and possible to form.
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