Fast Uncoupled Mode Space Approach for Nano-Scale Device Simulation Based on Bridge-Function Pseudo-Spectral Method

摘要

We present a three-dimensional (3D) quantum mechanical simulation based on the BPSM (Bridge-Function Pseudospectral Method). The BPSM is a calculation technique which easily guarantees the continuity of the physical quantity and high calculation accuracy. The use of the BPSM produces higher computational efficiency than conventional numerical methods (FDM or FEM). In addition, we have adopted a perturbative treatment, namely, a fast uncoupled mode space approach (FUMS) into our previous BPSM to reduce further the computational time. This method (FUMS-BPSM) enables us to calculate much faster than our previous method, retaining high accuracy. In order to affirm the superiority of the present method, we have compared the calculation results of the present and the previous ones.