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Liu, Jianpeng. Topological materials. Retrieved from https://doi.org/doi:10.7282/T3ZP4849

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TitleTopological materials
NameLiu, Jianpeng (author); Vanderbilt, David (chair); Cheong, Sang-Wook (internal member); Yuzbashyan, Emil (internal member); Zamick, Larry (internal member); Prodan, Emil (outside member); Rutgers University; Graduate School - New Brunswick
Date Created2015
Other Date2015-10 (degree)
SubjectPhysics and Astronomy, Topological dynamics, Phase transformations (Statistical physics)
Extent1 online resource (xix, 199 p. : ill.)
DescriptionIn this thesis, we study the properties of topological materials using theoretical techniques such as first-principles calculations and tight-binding models. In the first part of the thesis, we deal with the phase transitions in 3D topological insulators. We first study the topological phase transitions in In- and Sb-doped Bi2Se3, where distinct behaviors are found. In the In-doped case, we find that the In 5s orbitals destroy the topological phase at low impurity compositions, and the phase transition is better described by a local percolation scenario. On the other hand, the Sb-doped Bi2Se3 is well described by a "linear-gap-closure" picture, where the phase transition is dominated by the gradual decrease of the effective spin-orbital coupling. We also discuss the Weyl semimetals emerging from noncentrosymmetric topological insulators. We first clarify the previous theory, and prove that an intermediate Weyl semimetal must show up through the phase transition from a 3D topological to normal insulator. Then we propose LaBi1−xSbxTe3, LuBi1−xSbxTe3 and pressurized BiTeI as possible candidates of Weyl semimetals. The second part of the thesis is focused on method development. We first propose a quantitative definition for the band inversions driven by spin-orbit coupling in insulators, known as the ``spin-orbit spillage". The spin-orbit spillage has been applied to various topological systems, which turns out to be a useful tool for the identification of topological characters in band theory. In the last chapter of the thesis, we develop a new method for calculating the Chern-Simons orbital magnetoelectric coupling in 3D insulators. The contributions from the gauge discontinuity and the "vortex loops" are taken into account in our method. The former is expressed as a 2D integral over a k plane across which the gauge of the occupied Bloch functions become discontinuous, while the latter is expressed as the Berry phases around 1D "vortex loops" lying in the gauge-discontinuity plane. Our method is successfully applied to the Fu-Kane-Mele model with the breaking of time-reversal symmetry.
NotePh.D.
NoteIncludes bibliographical references
Noteby Jianpeng Liu
Genretheses, ETD doctoral
Persistent URLhttps://doi.org/doi:10.7282/T3ZP4849
Languageeng
CollectionGraduate School - New Brunswick Electronic Theses and Dissertations
Organization NameRutgers, The State University of New Jersey
RightsThe author owns the copyright to this work.
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