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Numerical computation for pyramid quantum dot
Conference paper

Numerical computation for pyramid quantum dot

Tsung-Min Hwang, Wen-Wei Lin, Wei-Cheng Wang and Weichung Wang
ECCOMAS 2004 - European Congress on Computational Methods in Applied Sciences and Engineering
2004

Abstract

Finite volume method Heterostructure Large scale polynomial eigenvalue problem Schrödinger equation Semiconductor pyramid quantum dot
We present a simple and efficient numerical method for the simulation of the three-dimensional pyramid quantum dot which is placed in a cuboid box. The corresponding Schrödinger equation is discretized using the finite volume method with uniform mesh in Cartesian coordinates and the interface conditions are incorporated into the discretization scheme without explicitly enforcing them. The resulting matrix eigenvalue problem is then solved using a Jacobi-Davidson based method. Both linear and quintic polynomial eigenvalue problems are simulated. The scheme is 2nd order accurate and converges extremely fast. The superior performance is a combined effect of the uniform spacing of the grids and the nice structure of the resulting matrices. We have successfully simulated a variety of test problems, including a quintic polynomial eigenvalue problem with more than 32 million variables.

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