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Band Structure Lab
Computes the electronic structure of various materials for bulk (infinitely periodic), quantum wells (confined in one dimension, infinitely periodic in 2 dimensions), and wires (confined in 2 dimensions and infinitely periodic in 1 direction).
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- Chapter 5 of Quantum Transport by S. Datta (Cambridge, 2005)
- Different Tight-binding models can give different electron and hole effective masses. This happens since different band models give different curvatures.Always a higher and more sophisticated band model will give better estimation of effective masses. Eg: sp3d5s* TB models give better estimate of effective mass compared to sp3s* TB models.
- bulk effective mass table is not correct for light, and heavy hole bands
- charge self-consistent calculation appears to be unstable for some devices
- nanowire dimensions exceeding 5-6nm in diameter appear to crash the simulations. More work is needed in the tool
- 2.0.1: Bug Fixes :
- Strain sweep now provides correct band edges as well as effective mass values for bulk.
- Transport effective masses for nanowires and UTB devices.
- Self-consistent run for nanowire Gate all around FETs and DGMOS.
- Bulk effective masses for light, and heavy hole bands have been corrected.
- Charge self-consistent simulations are now stable.
- Biaxial strain sweep related error has been removed. Now all the results appear that have completed.(Answer to the biaxial question too.)
- Transport effective masses for nanowires and UTB devices are now available.
- Now 3D EK simulation data available with 3D bulk simulation as data file. (Answer to this question .
- Self-consistent run for 1 gate bias now possible for Gate all around nanowire FETs and DGMOS.
- Parallel execution on 24 cores in an instant-on parallel computing environment where appropriate. Used for nanowires and ultra-thin bodies with not too large cross section.
- Allow other types of crystals and new materials to be simulated to obtain bandstructure.
- Allow other bandstructure calculation like k.p.