1. SIMULATION OF THE GROWTH OF A HETEROEPITAXIAL FILM ON A (111) ORIENTED SUBSTRATE

2. Film →Ge 0.5 Si 0.5 Material properties→ Isotropic E = 150.62 GPa ν = 0.2098 Lattice parameter, a 0 = 5.54 Å Slip system → {111} Substrate → Si Material properties→ Isotropic E = 165.86 GPa ν = 0.2174 Lattice parameter, a 0 = 5.43 Å Slip system → {111} Edge of the domain Film Substrate 2 1 Mesh size b  b Boundary Condition Imposing Symmetry U2 = 0 U1 = 0 Region where thermal strains are imposed to simulate an epitaxial film with a lattice mismatch Compressive region Tensile region SYSTEM AND BOUNDARY CONDITIONS b = 3.84 Å [110] [111]

3. σ XX CONTOURS OF HETEROEPITAXIAL FILM ON SUBSTRATE Film Substrate Mesh size b  b Edge of the domain Tensile Stresses Compressive stresses +1.3 +1.2 +0.6 +0.0  0.6  1.2  1.8  2.4  2.7 Interfacial plane (111) 100b = 384 Å 70b = 268.8 Å Film thickness Stress contour values in GPa

4. 1 b

5. 2 b

6. 3 b

7. 4 b

8. 5 b

9. 6 b

10. 7 b

11. 8 b

12. 9 b

13. Substrate energy goes upto 30% of total energy on growth film to 10b thickness 10 b