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We have studied the electronic, bonding and energetic characteristics of the Fe-Si binary system using the tight-bonding extended Huckel method. Among the Fe-Si binary compounds, FeSi has the most symmetric geometric arrangement in the crystal structure. It also possesses the largest cohesive energy per atom. This correlates to the fact that FeSi is the most stable congruently-melting compound in the bulk phase diagram. An estimate of interaction energies between different atoms is also given.
We have studied the electronic, bonding and energetic characteristics of the Fe-Si binary system using the tight-bonding extended Huckel method. Among the Fe-Si binary compounds, FeSi has the most symmetric geometric arrangement in the crystal structure. It also possesses the This correlates to the fact that FeSi is the most stable congruently-melting compound in the bulk phase diagram. An estimate of interaction energies between different atoms is also given.