Effects of Strain on Diborane Dissociative Adsorption and Boron Incorporation on Si0.5Ge0.5(001)-2 × 1 Surfaces
Gianluca Rengo,
Geoffrey Pourtois,
Clement Porret
et al.
Abstract:This study investigates the surface reaction pathway of the diborane dissociative adsorption on the Si 0.5 Ge 0.5 (001)-2 × 1 surface by using density functional theory. The impact of biaxial strain on the kinetics and thermodynamics of the reactions and on the subsequent boron incorporation in the lattice is additionally evaluated. The strain affects both the thermodynamic drive for boron incorporation and the activation energies of surface reactions involving BH 3 fragments. Specifically, as the strain chang… Show more
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