Description
The activity involves the development of analytic- and full-band Monte Carlo transport simulation codes, with the aim to investigate innovative wide gap semiconductors and to simulate and optimize nanoscale devices made with advanced semiconductors. The development of the full-band codes has been conducted together with the evaluation of electronic structure, phonon dispersion and deformation potentials of semiconductors, both with ab initio techniques and with accurate and efficient semiempirical methods. The ultimate goal of this research would be to achieve a hierarchy of fitting-parameters-free models, seamlessly leading from the semiconductor (or semiconductor alloy) structural properties to the evaluation/optimization of the device performance. The main applicative interest has been devoted to wide-gap III-N semiconductors (GaN and its alloys), IV-group elements and compounds (Si, Ge, GeSn, SiC) and II-VI materials (ZnO and its alloys, HgCdTe).