Searching materials for novel physics from theory and from data [electronic resource]
- Quan Zhou.
- Physical description
- 1 online resource.
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|3781 2018 Z||In-library use|
- Materials search and discovery is crucially important in condensed matter physics. Besides experimental trial-and-errors, there exist two types of methods to guide materials explorations: "from theory" that starts from theoretic analysis and numerical simulations, and "from data" that leverages massive materials data via statistical machine learning. I will present one work for each of both methods of materials discovery in this dissertation. Firstly, I will discuss the theoretic proposal and materials realization of anti-ferromagnetic Dirac semimetal. I will specifically show how a non-symmorphic crystal symmetry stabilizes a four-fold degenerate point in the electronic band structure of an anti-ferromagnetic system that is invariant under the combination of time-reversal and inversion symmetry, thus realizing massless Dirac fermions as low energy excitations. Secondly, I will talk about how to learn atoms' properties from extensive materials data, inspired by ideas from computational linguistics. I will present analysis of the constructed atom vectors, as well as their applications in data-based materials prediction using machine learning.
- Publication date
- Submitted to the Department of Physics.
- Thesis (Ph.D.)--Stanford University, 2018.
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