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Title: Stable finite element method of eight-band k·p model without spurious solutions and numerical study of interfaces in heterostructures

A Lagrange-Hermite finite element method for the eight-band k·p model is developed. We demonstrate that besides the incompletion of k·p basis functions, the ill representation of first-order derivatives can also bend the conduction band structure down and lead to the highly oscillatory solutions. Our method simultaneously solves these two problems and achieves robust stability and high accuracy in real-space numerical calculation. The more physical asymmetric operator ordering is employed and the connection problem in abrupt interface is resolved by using an approximately abrupt interface. The situation of smooth interface used to explain the discrepancies between experiment and simulation of abrupt interface is also calculated by our method, and the result suggests that the influence of the interface smoothing should be considered in the short period superlattices or quantum structures of the narrow well.
Authors:
; ; ; ; ;  [1]
  1. Institute of Semiconductors, Chinese Academy of Sciences, P.O. Box 912, Beijing 100083 (China)
Publication Date:
OSTI Identifier:
22402830
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 116; Journal Issue: 23; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ASYMMETRY; FINITE ELEMENT METHOD; INTERFACES; NUMERICAL ANALYSIS; SIMULATION; STABILITY; SUPERLATTICES