A Ph.D opening is available at the "multi-scale structural organization of materials" group lead by Prof. Olivier Masson at the institute of research on ceramics (IRCER), University of Limoges-CNRS UMR 7315 (France)

PhD project:
Nanocrystalline materials are promising in modern science and new technologies due to the specific properties they exhibit compared to conventional micrometric materials. It is well established that this behavior is mainly due to quantum confinement effects, caused by the finite size of particles. On the other hand, nanoparticles also contain an unusual form of structural disorder, induced by their small size and characteristics that can substantially modify their properties. However, these points of a crucial interest for a fundamental understanding of macroscopic properties are not very well understood.

The main goal of this thesis project is to improve our understanding of the structure-property relationship of metal oxide nanocrystals by characterizing in particular the deviations from perfect structures of bulk materials as well as their effects on various properties, in particular on the electronic properties. This study will be mainly considered from the point of view of theoretical modelling methods. The dimensions of concerned nanocrystals are of the order of 1 to 5 nm and therefore have a number of surface atoms equal or even greater than the number of core atoms.
The candidate's work will first focus on the construction of pertinent structural models able to reproduce the experimental pair distribution functions (PDF) (obtained in the laboratory)
of simple metal oxides of variable composition (e.g. TiO2, ZrO2, ZnO, SnO2) through the use of atomic scale simulation methods (ab initio and empirical). Second, the obtained nanocluster models will be used to calculate different properties, in particular electronic, in order to highlight the
influence of structural distortions on these properties. In parallel to this simulation work, the candidate will have the opportunity to carry out an experimental work of structural characterization by the PDF method of the samples synthesized in the laboratory.

Qualifications:
Qualified candidates are required to hold a Diploma/Master in physics, chemistry, material science or condensed matter physics with an excellent academic track record and at least a minimal background knowledge of density functional theory and/or classical molecular dynamics techniques and/or fundamental quantum mechanics and statistical mechanics.
Programming experience (Python, Fortran, C and/or C++) is highly advantageous.
Good command of English, both written and oral, is compulsory.

How to apply:
The interested PhD candidate should send a single PDF file containing: curriculum vitae, publication list (if any), and the list of passed examinations and relative marks.
In addition, the interested PhD candidate should also express his/her motivation in a cover letter and arrange confidential letters of recommendation to be sent to the contact points below.
Only complete applications will be processed.

Assessment:
Acceptance of candidates is subordinated to a further selection from the Doctoral School of the University of Limoges. A mandatory oral presentation will be scheduled for the selected candidates who will be notified of acceptance.
Appointment: The PhD project is expected to start early January 2021 and the position is intended for three years.

Application Deadline: December 20, 2020.

Further information available at: https://www.ircer.fr/

Contact Information Point:
Ass. Prof. Abid Berghout
email: [email protected]

Prof. Olivier Masson
email: [email protected]

Institute of research on ceramics
European center of ceramics
12 Rue Atlantis, 87068 Limoges (France)