Please use this identifier to cite or link to this item: https://libjncir.jncasr.ac.in/xmlui/handle/10572/1412
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dc.contributor.advisorNarasimhan, Shobhanaen_US
dc.contributor.authorMarathe, Madhura-
dc.date.accessioned2014-09-22T06:45:47Z-
dc.date.available2014-09-22T06:45:47Z-
dc.date.issued2014-09-22-
dc.date.issued2013en_US
dc.identifier.citationMarathe, Madhura. 2013, Structural, magnetic and electronic properties of surface alloys and interfaces : A First Principles Study, Ph.D thesis, Jawaharlal Nehru Centre for Advanced Scientific Research, Bengaluruen_US
dc.identifier.urihttps://libjncir.jncasr.ac.in/xmlui/handle/10572/1412-
dc.descriptionOpen Accessen_US
dc.description.abstractThe broad aim of this thesis is to study different classes of two-dimensional (2D) materials using first-principles methods. Surfaces and 2D systems are interesting for a large number of reasons. Atoms at the surface have reduced coordination with respect to the bulk, which is responsible for several unusual phenomena observed only at the surface. Some of these include structural relaxations and/or reconstructions, mixing of bulk-immiscible metals, enhanced chemical reactivity, high magnetic anisotropy and exotic magnetic phases such as spin spirals. In this work, I have mainly focused on metallic surface alloys and interfaces, with a common theme being magnetic materials. We would like to understand various interactions which are dominant at surfaces and interfaces, and how the interplay between them can lead to interesting structural, magnetic and electronic properties. Some of the interactions which are dealt with include elastic, chemical, and magnetic interactions. This study has allowed us not only to gain insight into the relative importance of these interactions, but also to use our understanding to formulate design principles. Using these principles as a guideline, we have, e.g., designed a novel surface alloy. In most of my projects, I have worked alongside an experimental group, and have seen a great synergy between my theoretical studies and experimental investigations.-
dc.language.isoEnglishen_US
dc.publisherJawaharlal Nehru Centre for Advanced Scientific Researchen_US
dc.rights© 2013 JNCASRen_US
dc.subjectAlloysen_US
dc.subjectMagnetic-
dc.subjectSurface alloys-
dc.titleStructural, magnetic and electronic properties of surface alloys and interfaces : a first principles studyen_US
dc.typeThesisen_US
dc.type.qualificationnamePh.D.en_US
dc.publisher.departmentTheoretical Sciences Unit (TSU)en_US
Appears in Collections:Student Theses (TSU)

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