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1D Heterostructure Tool

By Jean Michel D Sellier1, Samarth Agarwal2, Xufeng Wang3, Gerhard Klimeck3, Dragica Vasileska4

1. University 2. IBM 3. Purdue University 4. Arizona State University

Poisson Schrödinger Solver for 1D Heterostructures

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Archive Version 2.0.3
Published on 06 May 2009, unpublished on 08 May 2009
Latest version: 3.0.1. All versions

doi:10.4231/D3QV3C366 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.
  1. 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.
  1. 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.
  3. 0.3 – The materials are inserted in the grid with the following prioprity
  4. – Clicked Material entry
  5. – Selected layer
  6. – First non-empty row The Doping Density graph is in logarithmic scale.

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

Tags, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.