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Abstract:
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Oxide interfaces have attracted considerable attention in recent years due to emerging novel properties that do not exist in the corresponding parent compounds . Furthermore , modern atomic -scale growth and probe techniques enable the formation and study of new artificial interface states distinct from the bulk state . A central issue in controlling the novel behavior in oxide heterostructures is to understand how various physical variables (spin , charge , lattice and /or orbital hybridization ) interact with each other . In particular , density function theory (DFT ) has provided significant insight into underlying physics of materials at the atomic level , giving quantitative results consistent with experiment . In this dissertation using density functional theory methods , we explore the electronic , magnetic and structural properties developed near the interface in SrTiO3 /LaAlO3 , EuO /LaAlO3 , Fe /PbTiO3 /Pt , Fe / /BaTiO3 /Pt and Cs /SrTiO3 heterostructures . We study the interplay between physical interactions , and quantify parameters that determine physical properties of hetetrostructures . These theoretical studies help understanding how physical variables couple with each other and how they determine new properties at oxide interfaces . |