| 7 | Site 0ccupancy of Alloying Elements and Their Effects on the D0_3 Phase Stability in Fe_3Al显示文摘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. | Jun CAF Shaojun LIU Ying LOU and Benkuan usDepartment 0f Physics, Beijing N0rmal University, Beijing lO0875, ChinaSuqing D UANInstitute of Applied Physics and Computati0nal Mathematics, Beijing 100088, China | 1999 | Journal of Materials Science & Technology1999，15，4： | 0 |
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