1D Heterostructure Tool

Poisson Schrödinger Solver for 1D Heterostructures

Launch Tool

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Archive Version 2.0.4
Published on 08 May 2009, unpublished on 13 Jun 2009 All versions

doi:10.4231/D3GB1XG74 cite this



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The 1D Heterostructure Tool is a program for the design and simulation of 1D heterostructures. It currently implements the effective mass bandstructure model and parameters for materials belonging to GaAs substrate such as GaP, InAs, AlGaAs etc.. The user can also choose to use the semiclassical Fermi-Dirac distribution which can be faster on bigger devices. A friendly GUI has been implemented in order to easily design the heterostructure to be simulated. It is possible to define a new device in a few mouse clicks. The layers can be easily duplicated by means of "Copy and Paste" features and the heterostructure energy band can be visualized before the simulation is launched. A short guide follows:
  • Define the heterostructure and click on "Update Visualization" to visualize the entered structure
  • Click on "Accept Geometry" and a second tab will appear.
  • Modify the simulation numerical parameters (if needed) and click on "Simulate"

Improvements / modifications in subsequent releases:
  • 1.0.1 - The charge calculation for the low temperature case has been corrected.
  • 1.0.2 - Plotting of data has been improved and should now be much faster.
  • 1.0.3 - Fermi-Dirac distribution implemented.
  • 2.0 - Complete overhaul of the structure entry. A friendly Tcl/Tk GUI implemented in which materials can be added to a simple, table-based list from a material list defined in a database. The list is currently limited to materials grown unstrained on a GaAs substrate. The computational kernel is modified to take into account many different materials. There are 2 different HFET designs, as QWIP design and QCL design provided as an input.
  • 2.0.1 - The density graph has been improved.
  • 2.0.2 - The Material table is now more intuitive. If no layer is selected, the next layer to be filled, when the user clicks on the table, is the first non-empty one. If a layer is selected and the user clicks on the material list then the selected layer is to be filled.
  • 2.0.3 - The materials are inserted in the grid with the following prioprity 1 - Clicked Material entry 2 - Selected layer 3 - First non-empty row The Doping Density graph is in logarithmic scale.
  • 2.0.4 - Valence band graph has been added. The Tk GUI code makes a difference between alloys and non-alloy materials. No need to specify a "X-mole fraction" value when a material is not an alloy. Graphs are now reflected to be consistent with the direction of x-axis in the Rappture GUI. Hamiltionian constructor has been modified according to Frensley's formulation.

the following improvements are planned:
  • multi-band models based on empirical tight binding
  • more substrates, with more materials.


M. Luisier... Core Matlab simulator
J.M. Sellier... Tcl/Tk GUI, Rappture GUI (from 1.0.3 on), Matlab code fixes, Core development (from 1.0.3 on)
G. Klimeck... Scientific directions, GUI and Algorithm Design
S. Agarwal, X. Wang... Matlab Code adaptations, initial Rappture GUI (down to 1.0.2)
D. Vasileska... Scientific directions and testing

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Cite this work

Researchers should cite this work as follows:

  • Jean Michel D Sellier; Samarth Agarwal; Xufeng Wang; Gerhard Klimeck; Dragica Vasileska (2015), "1D Heterostructure Tool," http://nanohub.org/resources/1dhetero. (DOI: 10.4231/D3GB1XG74).

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