Theory of the Electronic Properties of Solids
Prof. Alfonso Baldereschi, Full Professor
Prof. Raffaele Resta, Full Professor
Prof. Maria Peressi, Associate Professor
Dr Alberto Debernardi, Postdoctoral Fellow (INFM)
Dr Agnese Callegari, Postdoctoral Fellow (INFM-DEMOCRITOS)
Dr X.M. Duan, Postdoctoral Fellow
Dr A Stroppa, PhD student
Dr Michele Tosolini, Research Fellow
The research activity is devoted to the theoretical/computational study of structural, electronic, magnetic and optical properties of solids and in particular of semiconductors and insulators. The main research fields are:
Semiconductor epitaxial heterostructures.
Computational study based on density functional theory in the local density approximation and with the pseudopotential method. In particular:
Dielectric polarization in solids.Study of macroscopic polarization with the use of the Berry phase method, developed by R.Resta (starting from 1992). Study of microscopic polarization by developing novel approaches, based on linear-response theory. Further development of the theory of the insulating state, based on the localization of the electronic wavefunction, and related to the Berry phase. Materials of interests are semiconductors, ferroelectric oxides, and also quasi-one-dimensional systems (polymers, nanotubes).
Wide gap semiconductor alloys.Alloys based on (Ga,In)(As,N) are studied with supercell approach, with particular attention to the local atomic type distribution and electronic and optical structure.