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dc.contributor.advisorSchwingenschlögl, Udo
dc.contributor.authorWang, Hao
dc.date.accessioned2012-05-21T12:54:40Z
dc.date.available2012-05-21T12:54:40Z
dc.date.issued2011-05
dc.identifier.citationWang, H. (2011). First-Principles Investigations on Europium Monoxide. KAUST Research Repository. https://doi.org/10.25781/KAUST-73PK2
dc.identifier.doi10.25781/KAUST-73PK2
dc.identifier.urihttp://hdl.handle.net/10754/224986
dc.description.abstractEuropium monoxide is both an insulator and a Heisenberg ferromagnet (Tc=69 K). In the present thesis, the author has investigated the electronic structure of different types of EuO by density functional theory. The on-site Coulomb interaction of the localized Eu 4f and 5d electrons, which is wrongly treated in the standard generalized gradient approximation method, is found to be crucial to obtain the correct insulating ground state as observed in experiments. Our results show that the ferromagnetism is stable under pressure, both hydrostatic and uniaxial. For both types of pressure an insulator-metal transition is demonstrated. Moreover, the experimentally observed insulator-metal transition in oxygen deficient and gadolinium-doped EuO is reproduced in our calculations for impurity concentrations of 6.25% and 25%. Furthermore, a 10- layer EuO thin film is theoretically predicted to be an insulator with a narrow band gap of around 0.08 eV, while the Si/EuO interface shows metallic properties with the Si and O 2p as well as Eu 5d bands crossing the Fermi level.
dc.language.isoen
dc.titleFirst-Principles Investigations on Europium Monoxide
dc.typeThesis
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
thesis.degree.grantorKing Abdullah University of Science and Technology
dc.contributor.committeememberAlshareef, Husam N.
dc.contributor.committeememberManchon, Aurelien
thesis.degree.disciplineMaterial Science and Engineering
thesis.degree.nameMaster of Science
refterms.dateFOA2018-09-06T06:53:57Z


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