Discretization of the Brillouin Zone by an Octree/Delaunay Method with Application to Full-Band Monte Carlo Transport Simulation
We present a fast octree/Delaunay method to generate a structured tetrahedral mesh in the Brillouin zone perfectly suited for the use with full-band Monte Carlo algorithms. The method permits local mesh refinements maintaining congruent tetrahedral face neighbors. Using Lagrange’s remainder formula an estimate for the discretization error of the tetrahedral mesh elements is given. The method has been applied to investigate the influence of mesh refinements on full-band Monte Carlo transport simulations in silicon. In comparison with experimental data it is shown that high local mesh refinements are crucial to obtain accurate transport simulation results.
KeywordsBrillouin Zone Mesh Point Mesh Refinement Discretization Error Tetrahedral Mesh
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