Properties of New Nitride Semiconductor Alloys

with Laurent Bellaiche

My primary research interest is the prediction, design, and optimization of material properties. To reach that goal, I use and develop state-of-the-art computational and simulation methods. In semiconductor systems, I am especially interested in the effects of alloying on properties. My present focus is on the microscopic understanding of new nitride materials, namely the (Sc₁-_xMn_x)N alloys. These systems are very promising for spintronics.

A particular project that can be assigned to an REU student is to predict the effect of the composition x on optical, electronic, structural, magnetic and piezoelectric properties of (Sc1-xMnx)N alloys. The REU student will first learn simple and needed concepts of solid state physics and quantum mechanics. Then, the student will get familiarized with the computer (Unix version) and with the numerical tools. Third, she/he will use these tools to perform simulations. Finally, the student will analyze the results in the framework of solid state physics and quantum mechanics. This research project is expected to lead the REU student to a deeper understanding of fundamental and technological problems by showing her/him how these two aspects of science are related at a microscopic scale. It is also expected that learning computer skills will enhance the student's ability to compete on the job market.