Effect of oxygen vacancies on the structural and transport properties of SrTiO3 thin films: experiments and ab-initio calculations

This PhD Thesis studies the effect of oxygen vacancies on the structural and transport properties of SrTiO3 thin films under different degrees of epitaxial strain. The Thesis presents a novel approach combining experiments and ab-initio simulations to investigate and understand the underlying mechan...

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Detalles Bibliográficos
Autor: Iglesias Bernardo, Lucía
Tipo de recurso: tesis doctoral
Fecha de publicación:2019
País:España
Institución:Universidad de Santiago de Compostela (USC)
Repositorio:Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
Idioma:inglés
OAI Identifier:oai:minerva.usc.gal:10347/20267
Acceso en línea:http://hdl.handle.net/10347/20267
Access Level:acceso abierto
Palabra clave:Materias::Investigación::22 Física::2211 Física del estado sólido::221111 Propiedades de transporte de electrones
Materias::Investigación::22 Física::2211 Física del estado sólido::221108 Difusión en sólidos
Descripción
Sumario:This PhD Thesis studies the effect of oxygen vacancies on the structural and transport properties of SrTiO3 thin films under different degrees of epitaxial strain. The Thesis presents a novel approach combining experiments and ab-initio simulations to investigate and understand the underlying mechanisms that link oxygen vacancies and properties of this material. We determine the formation enthalpy and diffusion coefficient of oxygen vacancies as a function of strain. Moreover, we study by means of ab-initio calculations the influence of the different octahedral configurations, strain and oxygen vacancies on the ferroelectricity of the SrTiO3 thin films. Finally, the transport properties of the SrTiO3 thin films are also investigated in detail, discussing the similarities with the phenomenology observed in the famous LaAlO3/SrTiO3 interface.