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The band structure of Silicon under arbitrary stress/strain conditions has been calculated using the empirical non-local pseudopotential method. It is shown that the change of the electron effective mass cannot be neglected for general stress conditions and how this effect together with the strain induced splitting of the conduction bands can be used to optimize the electron mobility. The effective mass change has been incorporated into our Monte Carlo simulator VMC and an existing low-field mobility model.

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Full-band Monte Carlo simulations are performed to study the properties of hole transport in bulk Germanium under general strain conditions. The band structures are calculated with the empirical non-local pseudopotential method. For Monte Carlo simulations acoustic and optical phonon scattering as well as impact ionization are taken into account. Results for biaxially strained Ge grown on a [001] oriented SiGe substrate and for uniaxial compressive stress in [110] exhibit a high mobility enhancement.