Formation and Migration Energy of Native Defects in Silicon Carbide from First Principles: An Overview
We present here an overview of native point defects calculations in silicon carbide using Density Functional Theory, focusing on defects energetics needed to understand self-diffusion. The goal is to assess the availability of data that are necessary in order to perform kinetic calculations to predict not only diffusion properties but also the evolution of defect populations under or after irradiation. We will discuss the spread of available data, comment on the main defect reactions that should be taken into account, and mention some of the most recent promising developments.
I. Bezverkhyy, S. Chevalier and O. Politano
G. Roma et al., "Formation and Migration Energy of Native Defects in Silicon Carbide from First Principles: An Overview", Defect and Diffusion Forum, Vols. 323-325, pp. 11-18, 2012