Contact Block Reduction (CBR) for Ballistic Transport with Atomistic Basis Sets Objective: Evaluate Retarded Green’s Function (GR) for open systems in.

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Contact Block Reduction (CBR) for Ballistic Transport with Atomistic Basis Sets Objective: Evaluate Retarded Green’s Function (GR) for open systems in an atomic basis set with reduced computational cost. Approach: Use Contact Block Reduction (CBR) with atomistic tight binding (TB) band model. Identify basis-dependent efficiency criteria. Result: The numerical efficiency of CBR is hard to be achieved unless BM has cubic-grid bases. CBR is still efficient with TB for the RTD-like device, where a few strongly confined states dominate transport in a narrow energy range. k·p can be the optimal solution to attack following problems at one time: Modeling of the hole-transport through wires with acceptable accuracy. Modeling of multi-contact effect (>2). Evaluation of GR with good efficiency. [k·p] Hole transmission in Si wire of 2n square cross-section at equilibrium [1] D. Mamaluy et al, J. of Appl Phys 93:4628 (2003) [2] H. Ryu and G. Klimeck, Proceedings of ICSICT 2008