The effects of ternary solutes Ti, Co, V, Cr, Ta, W and Mo on the D03 phase 5tability of Fe3Alintermetallics are investigated by tight-binding linear Muffin-tin orbitaI method. The predictedsite preference5 of these e...The effects of ternary solutes Ti, Co, V, Cr, Ta, W and Mo on the D03 phase 5tability of Fe3Alintermetallics are investigated by tight-binding linear Muffin-tin orbitaI method. The predictedsite preference5 of these elements in Fe3AI are in agreement with the experimental observations.The calculated Iocal magnetic moment of Fe3AI is identical to the experimentaI. ln addition, itis found that the D03 phase stability of Fe3AI doped with Ti, V, Co and Cr depends on 'energygap- of energy band near Fermi level. while the D03 phase stability of Fe3AI doped with Ta, Wand Mo may be affected by Madelung energy.展开更多
文摘The effects of ternary solutes Ti, Co, V, Cr, Ta, W and Mo on the D03 phase 5tability of Fe3Alintermetallics are investigated by tight-binding linear Muffin-tin orbitaI method. The predictedsite preference5 of these elements in Fe3AI are in agreement with the experimental observations.The calculated Iocal magnetic moment of Fe3AI is identical to the experimentaI. ln addition, itis found that the D03 phase stability of Fe3AI doped with Ti, V, Co and Cr depends on 'energygap- of energy band near Fermi level. while the D03 phase stability of Fe3AI doped with Ta, Wand Mo may be affected by Madelung energy.
