Pardo Castro, VíctorRivadulla Fernández, José FranciscoOtero Fumega, Adolfo2021-10-132022-07-092021http://hdl.handle.net/10347/26991Crystalline Transition Metal Compounds (TMC) show a diverse amount of physical properties. They can be from good metals to semiconductors or 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 phase transitions. This heterogeneous behaviour makes TMC highly interesting from a technological point of view, but also from a more fundamental perspective. In this thesis we study from a theoretical point of view the interplay between the electronic, magnetic and structural degrees of freedom in TMC. The theoretical aspects and methods presented here together with the studies on representative TMC provide a reliable source of fundamental understanding in the contemporary area of Condensed Matter Physics.engAttribution-NonCommercial-NoDerivatives 4.0 Internacionalhttp://creativecommons.org/licenses/by-nc-nd/4.0/Theoretical Material ScienceTransport propertieselectronic structureMaterias::Investigación::22 Física::2211 Física del estado sólido::221110 Estados electrónicosMaterias::Investigación::22 Física::2211 Física del estado sólido::221117 Propiedades magnéticasMaterias::Investigación::22 Física::2211 Física del estado sólido::221129 Propiedades térmicas de los sólidosdoctoral thesisopen access