Team 4 : Calculation of the properties of solids

  Description :

The objectives of the team are to calculate the properties of solids in general, including structural, electronic, optical, magnetic and magneto-optical properties. The solids are the conductors (metal alloys), the semiconductors (binary, ternary, etc.) and the diluted semiconductors which are semiconductors to which a magnetic element is added and whose applications are located in the field of spintronics (spin electronics). The calculations of the properties of the mentioned materials are based on the ab initio methods which are numerical methods based on quantum chemistry and which are mainly interested in computing the electronic structure of materials by adopting the principle of approximations to ensure a better convergence of calculations. The work within this team will provide support to the various teams of the laboratory by taking care of the calculation of the properties of the materials they are working on and this in the context of the prediction.

Key words : Calculation ab inition, structural properties, optical properties, electronic properties, magnetic properties, semiconductors, diluted semiconductors