One postdoc position is available at the section for Computational Atomic-scale Materials Design (CAMD), Department of physics, Technical University of Denmark (DTU). The main focus of CAMD is first principles simulations of materials properties in the framework of Density Functional Theory. Research activities in the section include magnetism, ferroelectrics, spin-orbit physics, optical properties, two-dimensional materials, high throughput materials discovery, and machine learning.

The present project will focus on the stability and fundamental properties of charged domain walls in ferroelectric materials. In particular we will study the interplay with charged defects and shed light on the microscopic mechanisms that are responsible for the formation and stabilization of charged domain walls. The project will be carried out in close collaboration with an experimental group at DTU studying ferroelectrics with X-ray scattering.

Responsibilities and tasks
The successful candidate will be responsible for developing a first principles framework for understanding the fundamental properties of charged domain walls in ferroelectrics. Some of the fundamental questions we would like to answer are: 

• Do charged defects act as seeds for the formation of charged domain walls in ferroelectrics?
• Why are ferroelectric domains not depolarized under the large fields arising from charged domain walls?
• What is the role played by domain walls in photoferroics?
• Can photoferroic properties be optimized by domain wall design?