General information
Offer title : (M/F) Calculation of the electronic properties of Ga2O3 (H/F)
Reference : UMR137-HENJAF-012
Number of position : 1
Workplace : PALAISEAU
Date of publication : 29 April 2024
Type of Contract : FTC Scientist
Contract Period : 8 months
Expected date of employment : 10 July 2024
Proportion of work : Full time
Remuneration : gross salary between 2992 and 4204 euros/month
Desired level of education : Niveau 8 - (Doctorat)
Experience required : 1 to 4 years
Section(s) CN : Condensed matter: electronic properties and structures
Missions
The aim of the ANR GOSPELS project is to design and demonstrate a new power diode based on gallium oxide (Ga2O3) and nickel oxide (NiO), optimized for power electronics. The proposed work concerns the calculation of the electronic and structural properties of Ga2O3 and NiO, using the Abinit, Quantum Espresso and DP codes, which are ab-initio calculation codes developed for condensed matter. The aim is to provide the parameters required for the growth of gallium oxide and nickel oxide-based heterostructures, and to model the properties of these heterostructures from the structural properties of the two constituents. Heterostructure growths already carried out show the presence of defects in the layers. Numerical simulations will link the presence of these defects to the observed electronic properties. The second step will be to obtain the parameters needed to calibrate the devices using COMSOL Multiphysics and SILVACO software. These parameters will have a direct impact on the optimization of the technological process, as well as on device topologies.
Activities
Theoretical research will focus on:
- calculation of the electronic and structural properties of gallium oxide (Ga2O3) and nickel oxide (NiO).
- calculation of the electronic and structural properties of gallium oxide and nickel oxide-based gallium oxide heterostructures.
- development of models to interpret data and results.
The theoretical formalism will be density functional (DFT) and time-dependent density functional (TD-DFT).
Skills
Research experience in condensed matter theory, density functional theory and numerical simulation. Programming skills expected: fortran, MPI and/or OpenMP.
Work Context
This project is funded by ANR GOSPELS. The work will be carried out in strong collaboration with LSI. Some of the calculation developments may be also carried out at the LSI, Ecole Polytechnique. As far as digital resources are concerned, we have a development and testing cluster within the group, and we have access to computing time at national computing infrastructures.
Constraints and risks
No constraints.