Beta-of Fesi <sub> 2 </ Sub> / Si Orientation Relationship

The O-Lattice grain boundary geometrical theory and the minimum elastic strain energy criterion are applied in this paper to investigate the optimum Orientation Relationship (OR) and the optimum interface between the semiconducting p-FeSi2 films synthesized by ion implantation technique and the Si substrate. After TEM analysis, the most common OR is (100)β//(100)si, [010]β//[011]si with slight angular deviations, which is confirmed by theoretical calculations. Both theoretical calculations and experimental analysis indicate that multi-ORs always coexist in the interface, which makes it is impossible to fabricate single crystal films. The X-ray analysis indicates the lattice parameters of p-FeSi2 will automatically adjust slightly during the formation of the p-FeSi2 films on the Si substrate, theoretical calculations reveal this kind of slight adjustments will result in the formation of steady interface. After doping carbon ions into the p-FeSi2 films, theoretical calculations indicate no definite OR exists in the interface, which is consistent with the experimental results.