Band Structure Lab Demonstration: Bulk Strain
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Abstract
This video shows an electronic structure calculation of bulk Si using Band Structure Lab. Several powerful features of this tool are demonstrated, including the following:
- band structure plots for many bands and central bands
- zooming in on the top of the valence bands
- effective mass table
- 3D representations of unit cell and larger lattice, with rotations and orthoscopic projection
- running a new calculation for increasing values of biaxial strain
- cycle through band structures for increasing strain values showing the distortions in bands due to strain
- plot band gap and band edges vs. strain
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NCN@Purdue
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