SPHInX-Tutorial 2022

Weierstrass Institute Berlin, March 21-April 11, 2022

Due to illness the first lecture planned for March 14 must be canceled. We apologize for any inconveniences this may have caused you.


The aim of this lecture series is to empower researchers (MA, PhD, PostDoc, Senior Researcher) to perform numerical simulations of the electronic properties of semiconductor heterostructures such as thin films, nanowires, or quantum dots using multiband k·p models. We will review the basic concepts of the electronic band structure of semiconductor materials, k·p perturbation theory, and the envelope function approach that facilitates the application of the k·p formalism to heterostructures.

The main focus of the lecture is the hands-on tutorial for the simulation of selected nanostructures using the open-source library SPHInX (sxrepo.mpie.de). We will step-wise introduce the ingredients of electronic-structure simulations using SPHInX and gradually improve our simulations to state-of-the-art models suited to support the design of modern semiconductor devices or to gain a systematic understanding of observations in experiment.
Furthermore, we will shed some light on post-processing tools and automatisation of simulation series. Finally, we will give a brief insight in the relevant source code segments of the k·p module of the SPHInX library in order to facilitate possible modifications or improvements. The tutorial is not particularly aimed at scientists with a background in computational physics, but also at experimentalists who require a deeper understanding of the k·p electronic-structure theory 'work horse' and would like to supplement their measurements with corresponding, computationally inexpensive simulations. While we will employ the open-source SPHInX package for this tutorial, we emphasise that the theoretical background and the skills developed within this tutorial will also help to perform k·p simulations using other available packages (Nextnano, TiberCAD, etc.).
Due to the pandemic situation, the lecture will be given either online, or in a hybrid form with presence of registered participants at WIAS Berlin.
A laptop with an up-to-date Linux version or remote access to a Linux machine with the SPHInX package installed is required for the hands-on tutorial. The package is available for most Linux versions per one-click install via SPHInX Install.
The tutorial will be held on the Mondays of March 21 and 28 and of April 4 and 11 from 9.00 a.m. to 12.30 p.m.
Online registration is required by February 28, 2022.

The venue is wheel-chair accessible by appointment. Kindly inform us about any particular needs.

Contact and further information

Dr. Oliver Marquardt: oliver.marquardt@wias-berlin.de


We gratefully acknowledge support by Weierstrass Insitute Berlin (WIAS) The lecture is funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany's Excellence Strategy - EXC2046: Math+ Berlin Mathematics Research Center (project IN-7).