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Computational design of two‐dimensional topological materials
Author(s) -
Wang Z. F.,
Jin KyungHwan,
Liu Feng
Publication year - 2017
Publication title -
wiley interdisciplinary reviews: computational molecular science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.126
H-Index - 81
eISSN - 1759-0884
pISSN - 1759-0876
DOI - 10.1002/wcms.1304
Subject(s) - spintronics , field (mathematics) , topology (electrical circuits) , computer science , development (topology) , density functional theory , characterization (materials science) , nanotechnology , a priori and a posteriori , engineering , mathematics , materials science , physics , pure mathematics , quantum mechanics , epistemology , electrical engineering , mathematical analysis , philosophy , ferromagnetism
The progress in science and technology is largely boosted by the continuous discovery of new materials. In recent years, the state‐of‐art first‐principles computational approach has emerged as a vital tool to enable materials discovery by designing a priori unknown materials as well as unknown properties of existing materials that are subsequently confirmed by experiments. One notable example is the rapid development of the field of topological materials, where new candidates of topological materials are often predicted and/or designed before experimental synthesis and characterization. Topological phases of condensed mater not only represent a significant advance in the fundamental understanding of material properties but also hold promising applications in quantum computing and spintronics. In this article, we will give an overview of recent progress in computational design of two‐dimensional topological materials and an outlook of possible future research directions. WIREs Comput Mol Sci 2017, 7:e1304. doi: 10.1002/wcms.1304 This article is categorized under: Electronic Structure Theory > Density Functional Theory