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Post doc offer at CEA-Arpajon (France) concernin ... (No replies)

richard
6 years ago
richard 6 years ago

A post-doc position is available at CEA-Arpajon (France). The details are given below:

Many Body Perturbation Theory Characterization of defects in dielectrics

ABSTRACT

The macroscopic properties of a dielectric material exposed to radiation are altered, because of the creation of point defects at the atomic scale affecting the electronic and optical properties. To characterize those defects, ab initio calculations could be particularly effective. To do so, three steps can be done one after another : from the atomic structures of defects obtained using Density Functional Theory (DFT), Many Body Perturbation Theory (MBPT) can be applied through the GW approximation for the calculation of the electronic properties and the resolution of the Bethe-Salpeter Equation (BSE) to get the optical properties. The codes necessary to perform these three steps for a charged or neutral defect diluted in large cells don’t exist completely at the moment. The post-doctoral work will consist in making the necessary developments in the Abinit code and in applying them to defects in three materials: SiO2, HfO2 and SiC.

BACKGROUND

A PhD in ab initio calculations or computational physics. An experience on GW/BSE calculations will be an asset.

STARTING DATE

1st semester of 2018

INFORMATIONS

The post-doc will take place at the CEA-Arpajon center, 35 km south of Paris.

CONTACT

Please send your application accompanied by a CV and a motivation letter to Dr. Nicolas RICHARD ([email protected])

 




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Ab initio (from electronic structure) calculation of complex processes in materials