A study on bonding and energetic aspect of the Fe‐Si binary system

Abstract

W e have studied the electronic, bonding and energetic characteristicll of the Fe-Si binary sytexn using the tight-bonding atended Huckel method. Among the FaSi binary compounds, FtSi has the moet symmetric geometric arrangement in the cryntal structure. It also pthe I q p t cohesive anorgy per atom. Thi correlates to the fact that Mi h the most stabk congruentlymslting compound in the bulk phase diagram. An estimate of interaction energks between ditFerent atom8 I. aL0 given.