Interplay between electronic, magnetic and structural degrees of freedom in crystalline transition metal compounds

Abstract

Crystalline Transition Metal Compounds (TMC) show a huge variety of physical phenomena. They can be from good metals to insulators, and they can develop intriguing ordered phases such as ferromagnetism or superconductivity. It is the subtle interplay between their electronic, magnetic and structural degrees of freedom that leads to those different ground state properties and prompts phase transitions. That heterogeneous behavior makes TMC highly interesting from a technological point of view, but also from a more fundamental perspective. This thesis is devoted to theoretically study the interplay between the electronic, magnetic and structural degrees of freedom in TMC. The theoretical aspects and methods presented here together with the analyses on representative TMC provide a reliable source to understand the state-of-the-art research in the contemporary area of Condensed Matter Physics.