PhD Student / Post-Doctoral Researcher

Computational Scientist Positions

Research Topic: Prediction of III-V semiconductor material properties using density functional theory (DFT) methods

The subject of this PhD thesis/PostDoc work is the prediction of optical and carrier transport parameters of semiconductor alloys like mobility, effective mass, bandgap, the density of states, lattice constant, and the optical dielectric function employing DFT methods. There are analytically interpolated estimates of these parameters available as state-of-the-art. The most serious limitation of these approaches arises from the little amount of available experimental data. Consequently, oversimplifying interpolation procedures have to be used because of the huge parameter space of III-V semiconductor alloy compositions, which might lead to inaccurate results. To improve the accuracy of the extracted parameters, computer simulations should be established.

The main purpose of this work is to estimate transport parameters over a wide range of III-V semiconductor alloy compositions directly from simulations. The work should employ novel methods to get this data through first-principles ab-initio calculations together with solving the Boltzmann transport equation. The resulting material parameter models will then ultimately be used in predictive semiconductor device simulations of III-V semiconductor detectors and emitters.

The Institute of Microelectronics at the TU Wien in Vienna has a research group of high international renown, which will support the PhD thesis from a theoretical point of view. The thesis will also include the calibration of the employed simulation methods using experimental data from an III-V detector development project currently running at ams-OSRAM. The thesis will be supervised by a technical fellow at ams-OSRAM and by an academic supervisor of TU Wien.

Desired Skills and Experiences

For this position, considerable interest and existing in-depth knowledge in one or more of the following areas are advantageous to complement our team:

  • Master of PhD Degree in Computational Science, Electrical Engineering, Physics, Applied Mathematics, or equivalent studies
  • Profound knowledge of C++ under GNU/Linux
  • Experience in utilizing third-party (scientific) libraries
  • Team player, eager, and reliable
  • Proactive and self-reliant
  • Good knowledge of written and spoken English
  • Experience with DFT tools and methods is a plus

Desired Start

Immediately. The position will remain open until filled.


This position is subject to the collective agreement of TU Wien for workers and employees, employment group B1. The monthly salary is paid 14 times and the gross monthly salary for the 40h/w PhD position is approximately EUR 3.058,60 and for the 40h/w PostDoc is approximately EUR 4.061,50.

Application Material

Please submit your application containing a detailed CV, your collective certificates, your Master’s thesis or PhD thesis (weblink or PDF), and a single-page motivation letter (discussing relevant previous experience related to the desired skills and experience) to

Application Deadline

There is no particular deadline for applying, and it will be assigned on a first-come-first-serve basis.