Highlights
Task
A Computational study of a wide gap semiconductor
Summary of project aims, expected outcomes, scope and challenges (to be completed with supervisor):
The aim of this project is to calculate the structural, dielectric and elastic properties of wide gap semi-conductors AIN and GaN, which are of interest in high power microelectronics and optoelectronics. An 'of-the-shelf computer code, the General utility lattice program (GULP) will be used to calculate the properties. This code models materials using interatomic forces fields. Such as force field model has been developed for these materials using interatomic force fields. Such a force field model has been developed for these materials, and will be employed and tested in the project.
The expected outcomes: will be a thorough exploration of the structural properties of the bulk material, an analysis of the stability of different phases of each system as function of pressure and temperature, the energetics of point defects and the formation of solid solutions of GaN and AIN. Time permitting, we will model interfaces between the systems. Running the code requires the use of a Linux system and bash file editing and scripting, which are new concepts to the student.
The data collected as part of this project will provide insight into the structure and dielectric properties of solutions of the two materials, as well as on polarisation, and therefore be of use to researchers investigating methods to improve the efficiencies of wide-gap semiconductor based electronic components.
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