The complicated dependence of the energy on the wave vector makes it impossible to capture all details of the band structure by analytical approximations and the full details of the band structure (full-band) are included in the MC model based on a numerical representation of the band structure [5.1]. The basic properties and symmetries of the band structure of RSi are discussed in the first section of this chapter. The more general case of strained SiGe follows in the next section. The grid and the interpolation method for the energy in the KS are developed in the third section. Based on this grid efficient methods for the calculation of the density of states are discussed in the fourth section and a formulation of the mass tensor consistent with an unstructured tetrahedral grid is given in the fifth section. Methods for the motion of particles in the KS are presented in the sixth section and CPU efficient methods for the selection of the final state are given in the seventh section.
KeywordsBand Structure Band Energy Grid Node Final Energy Reciprocal Lattice Vector
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