Strain dependent gap nature of epitaxial beta-FeSi2 in silicon by first principles calculations.

Miglio L., Meregalli V., Jepsen O.

Univ Milano Bicocca Infm Via Cozzi 53 I-20125 Milan Italy
Univ Milano Bicocca Dipartimento Sci Mat I-20125 Milan Italy
Max Planck Inst Festkorperforsch D-70569 Stuttgart Germany

In this letter, we show that the gap nature in beta-FeSi2 is turned from indirect to direct when a suitable strain field is induced in the structure. Such a lattice deformation corresponds to a full lattice matching for the epitaxial relationship beta-FeSi2(110)//Si(111), which is one of the most common orientations occurring to beta-FeSi2 precipitates in silicon.
© Copyright 1999 American Institute of Physics. [S0003-6951(99)01829- X].

Applied Physics Letters, 75 385-387, 1999.

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