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dc.contributor.authorSánchez Botana, Antía
dc.date.accessioned2013-10-23T11:29:42Z
dc.date.available2013-10-23T11:29:42Z
dc.date.issued2013-10-23
dc.identifier.urihttp://hdl.handle.net/10347/9286
dc.description.abstractThis PhD Thesis deals with the analysis using first-principles calculations of transition-metal compounds whose electronic properties reside in the vicinity of a metal-to-insulator transition, the ultimate goal being the computational design of materials with new functionalities based on our calculations and the full understanding of these systems in order to make new predictions. A large portion of the technological progress over the past decades has been related to Materials Science and Condensed Matter Physics. Particularly, the latter half of the 20th century witnessed an explosion of new materials and new ways to tune their properties. A powerful driving force behind the technology revolution is the ability to control the electronic properties of a material on demand, giving rise to new functionalities. An important class of these novel materials is represented by transition- metal compounds where outstanding properties such as ferroelectricity, colossal magnetoresistance, high temperature superconductivity and metal-insulator transitions can be observed. In addition to this huge heterogeneity of physical phenomena, there is potential for exciting new discoveries in these materials: the enhancement of thermoelectric properties through nanostructuring or the new phenomena on surfaces and interfaces between complex oxides are clear examples of that and have been explored by a lively scientific community in the last years.
dc.language.isoeng
dc.rightsEsta 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.gl
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/deed.gl
dc.subjectAb initio calculations
dc.subjectElectronic structure
dc.subjectThermoelectric properties
dc.subjectMagnetism
dc.titleTuning the electronic properties of transition-metal compounds: an ab initio study
dc.typeinfo:eu-repo/semantics/doctoralThesis
dc.rights.accessrightsinfo:eu-repo/semantics/openAccess


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Esta 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.gl
Except where otherwise noted, this item's license is described as  Esta 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.gl





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