Computational design of two‐dimensional topological materials

Wang, Z. F.; Jin, Kyung‐Hwan; Liu, Feng

doi:10.1002/wcms.1304

Title: Computational design of two‐dimensional topological materials

Journal Article · Thu Mar 23 00:00:00 EDT 2017 · Wiley Interdisciplinary Reviews: Computational Molecular Science

DOI:https://doi.org/10.1002/wcms.1304· OSTI ID:1400831

Wang, Z. F. ^[1]; Jin, Kyung‐Hwan ^[2]; Liu, Feng ^[3]

Hefei National Laboratory for Physical Sciences at the Microscale, Synergetic Innovation Center of Quantum Information and Quantum Physics, CAS Key Laboratory of Strongly‐Coupled Quantum Matter Physics University of Science and Technology of China Hefei China
Department of Materials Science and Engineering University of Utah Salt Lake City UT USA
Department of Materials Science and Engineering University of Utah Salt Lake City UT USA, Collaborative Innovation Center of Quantum Matter Beijing China

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

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OSTI ID:: 1400831

Journal Information:: Wiley Interdisciplinary Reviews: Computational Molecular Science, Journal Name: Wiley Interdisciplinary Reviews: Computational Molecular Science Vol. 7 Journal Issue: 4; ISSN 1759-0876

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: United States

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