- Yi Zhang, Louisiana State University, Baton Rouge
Disorder is ubiquitous in materials and can drastically affect their properties. In particular it can induce localization of electrons and lead to a metal-insulator transition, which is known as the Anderson localization transition. Anderson localization has been proposed to play a critical role in materials that can be used for the harvesting and efficient use of energy. Combining two recently developed methods, the effective disorder Hamiltonian method and the typical medium dynamical cluster approximation, has opened the door to investigate localization in such energy materials with first principles simulations. In this talk, I will present our recent studies of localization in the Fe-based superconductor KxFe2-ySe2, the diluted magnetic semiconductor Ga(Mn,N), and the intermediate-band photovoltaic Ti-doped Si.