The development of new devices for the production and transport of 
electricity (such as batteries, capacitors, fuel cells, thermoelectricity, 
photovoltaic, ) faces new challenges. The principal one is to find 
innovative processes to the energy storage. In this framework, materials 
with high dielectric permittivities are interesting for the development of 
devices such as hyper-capacitors. The project is devoted to the study of 
the dielectric response of some nanocomposites based on perovskites. In 
the context of a research in EDF R&D, the goal of this PhD position is to 
understand the microscopic and nanometric properties of these materials 
and connect them with microscopic high capacities.
The student will have to use first-principles modelling (Hartree-Fock, 
Density Functional Theory, ) to understand the structural and electronic 
properties of the materials and their influence on the dielectric 
responses. The work will focus on three topics: a) study of various 
defects in different perovskites; b) study of the surfaces and interfaces 
properties of these materials and c) influence of the temperature, 
pressure, ... on the properties.
The work has both an applied and a theoretical aspect. This is why the 
PhD will be co-supervised by EDF R&D and the Universit de Pau et des 
Pays de l'Adour (UPPA), represented by Philippe Baranek and Professor 
Michel Rerat, respectively. Most of the time the PhD will take place at 
the department of Materials and Mechanics of Components (MMC) of EDF R&D 
(in Moret  sur  Loing, near Fontainebleau, south of Paris, France) and 
supervised by Philippe Baranek but periods of work at the UPPA and in the 
Group of Theoretical Chemistry of Turin, supervised by Professors Michel 
Rerat and Roberto Dovesi have also to be envisaged for the programming 
part.

The expected starting date is the 1st October 2010

The candidate must have a background in nano-materials and nano-objects
sciences, and a skill for programming. Knowledge of the first-principles
methods and/or molecular modeling is recommended.

The interested candidate must send us a curriculum vitae with a cover 
letter and a list of two contacts for references.

Contacts:
- Philippe Baranek, EDF R&D, France
email: philippe.baranek++edf.fr
- Professor Michel Rerat, IPREM-UPPA, France
email: michel.rerat++univ-pau.fr
- Professor Roberto Dovesi, Unversity of Turin and NIS, Italy
email: roberto.dovesi++unito.it