Theoretical study of magnetic defects in CdSe: from bulk to quantum dots

Abstract

This project proposes a sequence of tasks related to the systematic investigation of structural and electronic properties of bulk and nanostructured semiconductor prepared on the base of the II-VI materials, with and without manganese (Mn) incorporation. We will follow three major fields of investigation: i) Calculation of structural and electronic properties of bulk CdSe, such as wave function, carrier density, charge density, elastic properties and phonons. This part of project will will be essential to guide the candidate in the learning of ab-initio calculation method on the basis of density functions theory (DFT). ii) Study of the properties by impurities incorporation and defect generation in CdSe, aiming a deep understanding the nanomagnetism, combining the results of DFT calculations with electronic struture simulations of CdSe quantum dots using the K.P formalism. iii) Study of the properties of nanostructures semiconductor with Mn ion incorporating, driving to spintronics applications. (AU)