Three-dimensional spectral solution of Schrödinger equation

Alexandros Trellakis, U. Ravaioli

Research output: Contribution to journalArticlepeer-review

Abstract

We present a fast and robust method for the full-band solution of Schrödinger's equation on a grid, with the goal of achieving more complete description of high energy states and realistic temperatures. Using Fast Fourier Transforms, Schrödinger's equation in the one band approximation can be expressed as an iterative eigenvalue problem for arbitrary shapes of the conduction band. The resulting eigenvalue problem can then be solved using Krylov subspace methods as Arnoldi iteration. We demonstrate the algorithm by presenting an example concerning non-parabolic effects in an ultra-small Metal-Oxide-Semiconductor quantum cavity at room-temperature. For this structure, we show that the non-parabolicity of the conduction band results in a significant lowering of high-energy electronic states.

Original languageEnglish (US)
Pages (from-to)341-347
Number of pages7
JournalVLSI Design
Volume13
Issue number1-4
DOIs
StatePublished - 2001

Keywords

  • Full band
  • Quantum dot
  • Schrödinger-Poisson
  • Semiconductor
  • Simulation

ASJC Scopus subject areas

  • Hardware and Architecture
  • Computer Graphics and Computer-Aided Design
  • Electrical and Electronic Engineering

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