Deadline: 2015-03-31
Level Of Study: PhD

PhD Scholarship Electronic Structure Theory for Perovskites



PhD Scholarship in the

Joint graduate school of Helmholtz-Zentrum Berlin and University of Potsdam 

Topic:

Electronic structure and band gap tuning of perovskites from first principles 

We seek highly motivated candidates for an open Ph.D. position in the Group of JProf. Thomas Korzdorfer on the above mentioned topic. The project is part of the joint graduate school of the Helmholtz-Zentrum Berlin and the University of Potsdam.

The PhD-student will perform in-depth theoretical investigations of the electronic structure of perovskite materials using state-of-the-art electronic structure methods. The aim is to clarify how the key electronic properties of perovskites, such as the optical band gap, can be tuned by changing the composition and/or structures. It will be of central importance to gain a profound understanding of the key ingredients that affect the electrical, optical, and transport properties of these perovskite materials, thus, opening the way to the design of new and improved materials.

In terms of the methods, the student will mainly use density functional theory (DFT), time-dependent density functional theory (TD-DFT), and many-body perturbation theory calculations in the GW approximation (and beyond). Experience with any of these methods or, more generally, with electronic structure calculations for periodic systems would be helpful, yet not strictly required. While the focus of this work is theoretical, the student will be working closely together with the experimental projects associated with the graduate school. Not only will the insights from this theoretical work lead to a better understanding of the key electronic properties of perovskites, but its outcome will also yield important input towards the design of novel perovskite materials and help to identify ideal candidates for tandem cell applications.

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Qualifications: Master of Science/Diploma or equivalent degree in Physics or Chemistry 

Experiences: Knowledge of electronic structure programs and programming skills (Fortran, C/C++) are a plus

For further information or interest in the position, please write an email to koerz@uni-potsdam.de. Interested candidates are asked to send their application documents (including a CV and at least two letters of recommendation) to JProf. Thomas Korzdorfer (koerz@uni-potsdam.de). 

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