以不同含量的Ti原子取代FeSiAl合金中的Al原子，采用机械合金化方法，制备Fe85Si9.6(Al1?xTix)5.4合金粉体。结合固体与分子经验电子理论，计算4种合金粉体的电子结构的变化，并测试粉体的形貌、物相和电磁参数，计算电磁波反射损耗率。结果表明：Ti原子的加入可以细化晶粒，主要增加(111)方向上的共价电子对数， Ti取代量为0.66时，具有理想的吸波性能。
Fe85Si9.6(Al1?xTix)5.4alloy powders were prepared by mechanical alloying with various Ti contents instead of Al atoms in FeSiAl alloy. The electronic structure evolutions of four kinds of alloy powders were calculated with the empirical electron theory of solids and molecules. The morphology, phase and electromagnetic parameters of powders were tested, and the electromagnetic wave reflection losses were calculated. The results show that the addition of Ti can refine the grain and increase the number of covalent electrons in the (111) direction,and the ideal absorbing performance among the four powderscan be gotten whenthe Ti contentis 0.66.
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