The subject of PhD thesis:
Ab initio studies of structural, magnetic and dynamic properties of nanomaterials containing transition metals.
The successful candidate should have a good knowledge of solid state physics and statistical physics, and should be familiar with computing methods. The research will involve ab initio calculations of structural properties and lattice dynamics of one of the selected nanostystem: metallic nanoparticle, oxide surface and monolayer, multilayers or multiferroic interface . At your disposal there is a high performancecomputing cluster. Calculations will be carried out in close cooperation with experiment physicists, who are able to create samples of the above mentioned systems, test them and carry out measurements with X-rays at the ESRF synchrotron.
PhD studies are available to Polish and foreign candidates.
For further details and information, please contact the Department office:
tel: +48 12 66 28 408
Ab initio calculations of structure and phonons in crystals and complex systems
Scientific adviser: prof. dr hab. Krzysztof Parliński
The theme of the dissertation is ab initio calculations for crystalline systems employing VASP program and calculating lattice dynamics by means of Phonon program. These programs can be used to calculate properties of crystals, surfaces, multilayers, defects in crystals, molecular crystals, etc.
The two methods allow us to find phase transitions, phase diagrams, correlation functions and to quantify the scattering of neutrons and X-ray Raman scattering. The systems to be calculated will be selected to accord with current trends and meet the needs of scientific community.
For further details and information, please contact prof. dr hab. Krzysztof Parliński:
tel. +48 12 66 28 209