{"id":{"repo_id":"texas","oai_identifier":"oai:repositories.lib.utexas.edu:2152/46773"},"canonical_url":"https://search.dev.ndltd.org/etd/texas/oai:repositories.lib.utexas.edu:2152/46773","repository":{"repo_id":"texas","name":"University of Texas","base_url":"https://repositories.lib.utexas.edu/server/oai/request"},"display":{"title":"First-principles studies of perovskite thin films and heterostructures","abstract":"The growth of oxides on semiconductors is of great interest for electronics applications; however, the effects of film growth, atomic adsorption, and strain can have fundamental effects on the properties of the oxides in question. In this dissertation, we use density functional theory to calculate the properties of SrTiO₃ and BaTiO₃, and discover the effects of the environment on the electronic and atomic properties of these systems. We examine the effects of H adsorption on the SrTiO₃ and BaTiO₃(001) surfaces, and discover the coverage-dependent onset and retreat of metallic surface states. We calculate the effect of Pt film growth on BaTiO₃, and study the effects on the polarization of BaTiO₃ for different Pt/BaTiO₃ interfaces. We study how strain and interfacial chemistry affect the ferroelectricity of BaTiO₃/Ge and BaTiO₃/SrTiO₃/Ge heterostructures. We also discuss the development of two-dimensional conducting states created in BaTiO₃/SrTiO₃ heterostructures.","abstract_html":"The growth of oxides on semiconductors is of great interest for electronics applications; however, the effects of film growth, atomic adsorption, and strain can have fundamental effects on the properties of the oxides in question. In this dissertation, we use density functional theory to calculate the properties of SrTiO₃ and BaTiO₃, and discover the effects of the environment on the electronic and atomic properties of these systems. We examine the effects of H adsorption on the SrTiO₃ and BaTiO₃(001) surfaces, and discover the coverage-dependent onset and retreat of metallic surface states. We calculate the effect of Pt film growth on BaTiO₃, and study the effects on the polarization of BaTiO₃ for different Pt/BaTiO₃ interfaces. We study how strain and interfacial chemistry affect the ferroelectricity of BaTiO₃/Ge and BaTiO₃/SrTiO₃/Ge heterostructures. We also discuss the development of two-dimensional conducting states created in BaTiO₃/SrTiO₃ heterostructures.","abstract_has_math":false,"creators":["Fredrickson, Kurt David"],"institution":"The University of Texas at Austin","degree_name":"Doctor of Philosophy","degree_level":"Doctoral","degree_discipline":"Physics","degree_department":null,"school":null,"contributors":[],"advisors":["Demkov, Alexander A."],"committee_chairs":[],"committee_members":["Chelikowsky, James R.","Ekerdt, John G.","Fiete, Gregory A.","MacDonald, Allan H."],"year":2015,"date_issued":"2015-08","date_published":"2015-08","updated_at":"2026-07-24T05:00:58Z","subjects":["Physics","Condensed matter physics","Solid state physics","Oxide heterostructures","Ferroelectrics"],"languages":["en"],"rights":[],"rights_urls":[],"identifier_entries":[{"key":"dc:identifier","label":"Identifier","values":["doi:10.15781/T27W67B6R"],"render_values":[{"text":"doi:10.15781/T27W67B6R","href":"https://doi.org/10.15781/T27W67B6R","code":true}]}]},"links":{"outbound_url":"http://hdl.handle.net/2152/46773","outbound_label":"Handle","outbound_source":"dc:identifier.uri"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor.advisor","label":"Advisor","values":["Demkov, Alexander A."]},{"key":"dc:contributor.committeemember","label":"Committee Member","values":["Chelikowsky, James R.","Ekerdt, John G.","Fiete, Gregory A.","MacDonald, Allan H."]},{"key":"dc:creator","label":"Author","values":["Fredrickson, Kurt David"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.accessioned","label":"Dc Date Accessioned","values":["2017-05-08T21:07:36Z"]},{"key":"dc:date.available","label":"Dc Date Available","values":["2017-05-08T21:07:36Z"]},{"key":"dc:date.issued","label":"Date","values":["2015-08"]},{"key":"dc:type","label":"Dc Type","values":["Thesis"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Physics"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Doctoral"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Doctor of Philosophy"]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["The University of Texas at Austin"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Physics","Condensed matter physics","Solid state physics","Oxide heterostructures","Ferroelectrics"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language.iso","label":"Language (ISO)","values":["en"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["doi:10.15781/T27W67B6R"]},{"key":"dc:identifier.uri","label":"Identifier URI","values":["http://hdl.handle.net/2152/46773"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description.abstract","label":"Abstract","values":["The growth of oxides on semiconductors is of great interest for electronics applications; however, the effects of film growth, atomic adsorption, and strain can have fundamental effects on the properties of the oxides in question. In this dissertation, we use density functional theory to calculate the properties of SrTiO₃ and BaTiO₃, and discover the effects of the environment on the electronic and atomic properties of these systems. We examine the effects of H adsorption on the SrTiO₃ and BaTiO₃(001) surfaces, and discover the coverage-dependent onset and retreat of metallic surface states. We calculate the effect of Pt film growth on BaTiO₃, and study the effects on the polarization of BaTiO₃ for different Pt/BaTiO₃ interfaces. We study how strain and interfacial chemistry affect the ferroelectricity of BaTiO₃/Ge and BaTiO₃/SrTiO₃/Ge heterostructures. We also discuss the development of two-dimensional conducting states created in BaTiO₃/SrTiO₃ heterostructures."]},{"key":"dc:format.mimetype","label":"Dc Format Mimetype","values":["application/pdf"]},{"key":"dc:title","label":"Title","values":["First-principles studies of perovskite thin films and heterostructures"]}]}],"canonical_facts":{"dc:contributor.advisor":["Demkov, Alexander A."],"dc:contributor.committeemember":["Chelikowsky, James R.","Ekerdt, John G.","Fiete, Gregory A.","MacDonald, Allan H."],"dc:creator":["Fredrickson, Kurt David"],"dc:date.accessioned":["2017-05-08T21:07:36Z"],"dc:date.available":["2017-05-08T21:07:36Z"],"dc:date.issued":["2015-08"],"dc:description.abstract":["The growth of oxides on semiconductors is of great interest for electronics applications; however, the effects of film growth, atomic adsorption, and strain can have fundamental effects on the properties of the oxides in question. In this dissertation, we use density functional theory to calculate the properties of SrTiO₃ and BaTiO₃, and discover the effects of the environment on the electronic and atomic properties of these systems. We examine the effects of H adsorption on the SrTiO₃ and BaTiO₃(001) surfaces, and discover the coverage-dependent onset and retreat of metallic surface states. We calculate the effect of Pt film growth on BaTiO₃, and study the effects on the polarization of BaTiO₃ for different Pt/BaTiO₃ interfaces. We study how strain and interfacial chemistry affect the ferroelectricity of BaTiO₃/Ge and BaTiO₃/SrTiO₃/Ge heterostructures. We also discuss the development of two-dimensional conducting states created in BaTiO₃/SrTiO₃ heterostructures."],"dc:format.mimetype":["application/pdf"],"dc:identifier":["doi:10.15781/T27W67B6R"],"dc:identifier.uri":["http://hdl.handle.net/2152/46773"],"dc:language.iso":["en"],"dc:subject":["Physics","Condensed matter physics","Solid state physics","Oxide heterostructures","Ferroelectrics"],"dc:title":["First-principles studies of perovskite thin films and heterostructures"],"dc:type":["Thesis"],"thesis:degree_discipline":["Physics"],"thesis:degree_level":["Doctoral"],"thesis:degree_name":["Doctor of Philosophy"],"thesis:institution_name":["The University of Texas at Austin"]},"updated_at":"2026-07-24T05:00:58Z"}