Electronic Properties of Correlated Systems

University essay from Uppsala universitet/Institutionen för fysik och astronomi

Author: Raquel Esteban Puyuelo; [2016]

Keywords: ;

Abstract:

The aim of this project is to become familiar with the Hubbard-corrected energy functionals used in density functional theory, which are needed to describe the electronic properties of strongly correlated systems. This study focuses on two systems, gadolinium and nickel oxide, as examples of a lanthanide and a transition metal oxide, respectively, for which the conventional approaches to Density Functional Theory such as Local Density Approximationor Generalized Gradient Approximation fail.

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