Abstract
The structure model used for calculation was defined according to Vegard’s rule and Hooke’s law. Calculations were performed on the electronic structures of (101)-biaxially strained Si on relaxed Si1−X Ge X alloy with Ge fraction ranging from X = 0 to 0.4 in steps of 0.1 by CASTEP approach. It was found that [±100] and [00±1] valleys (δ4) splitting from the [0±10] valley (Δ2) constitute the conduction band (CB) edge, that valence band (VB) edge degeneracy is partially lifted and that the electron mass is unaltered under strain while the hole mass decreases in the [100] and [010] directions. In addition, the fitted dependences of CB splitting energy, VB splitting energy and indirect bandgap on X are all linear.
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Supported by the National Pre-research Foundation of China (Grant Nos. 51308040203 and 51408061105DZ0171)
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Song, J., Zhang, H., Hu, H. et al. Calculation of band structure in (101)-biaxially strained Si. Sci. China Ser. G-Phys. Mech. Astron. 52, 546–550 (2009). https://doi.org/10.1007/s11433-009-0078-1
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DOI: https://doi.org/10.1007/s11433-009-0078-1