Baldomir Fernández, DanielPardo Castro, VíctorPiñeiro Rodríguez, Alberto2013-10-232013-10-232013-10-23http://hdl.handle.net/10347/9267As a general summary, we note that ab initio techniques allow to describe the physics of compounds near a metal-insulator transition, or presenting different types of conduction depends on the spin-channel. Also, electronic structure properties and their variations with pressure or doping can be controlled, and this helps us predict new phenomenology and approach to describe possible technological applications in various functional materials.engEsta obra atópase baixo unha licenza internacional Creative Commons BY-NC-ND 4.0. Calquera forma de reprodución, distribución, comunicación pública ou transformación desta obra non incluída na licenza Creative Commons BY-NC-ND 4.0 só pode ser realizada coa autorización expresa dos titulares, salvo excepción prevista pola lei. Pode acceder Vde. ao texto completo da licenza nesta ligazón: https://creativecommons.org/licenses/by-nc-nd/4.0/deed.glhttps://creativecommons.org/licenses/by-nc-nd/4.0/deed.gltransition metalsPhysicsTiOCldoctoral thesisopen access