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  Unraveling materials Berry curvature and Chern numbers from real-time evolution of Bloch states

Shin, D., Sato, S., Hübener, H., de Giovannini, U., Kim, J., Park, N., et al. (2019). Unraveling materials Berry curvature and Chern numbers from real-time evolution of Bloch states. Proceedings of the National Academy of Sciences of the United States of America, 116(10), 4135-4140. doi:10.1073/pnas.1816904116.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0002-7446-D Version Permalink: http://hdl.handle.net/21.11116/0000-0003-A494-C
Genre: Journal Article

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https://arxiv.org/abs/1809.07439 (Preprint)
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https://dx.doi.org/10.1073/pnas.1816904116 (Publisher version)
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 Creators:
Shin, D.1, Author
Sato, S.2, 3, Author              
Hübener, H.2, 3, Author              
de Giovannini, U.2, 3, Author              
Kim, J.1, Author
Park, N.2, 3, Author              
Rubio, A.2, 3, 4, 5, Author              
Affiliations:
1Department of Physics, Ulsan National Institute of Science and Technology, ou_persistent22              
2Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
3Center for Free Electron Laser Science, ou_persistent22              
4Center for Computational Quantum Physics (CCQ), The Flatiron Institute, ou_persistent22              
5Nano-Bio Spectroscopy Group, Departamento de Fisica de Materiales, Universidad del País Vasco UPV/EHU, ou_persistent22              

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Free keywords: time-dependent density functional theory; Berry curvature; quantum spin Hall effect; topological insulator
 Abstract: Materials can be classified by the topological character of their electronic structure and, in this perspective, global attributes immune to local deformations have been discussed in terms of Berry curvature and Chern numbers. Except for instructional simple models, linear response theories have been ubiquitously used in calculations of topological properties of real materials. Here we propose a completely different and versatile approach to obtain the topological characteristics of materials by calculating physical observables from the real-time evolving Bloch states: The cell-averaged current density reveals the anomalous velocities that lead to the conductivity quantum. Results for prototypical cases are shown, including a spin-frozen valley Hall and a quantum anomalous Hall insulator. The advantage of this method is best illustrated by the example of a quantum spin Hall insulator: The quantized spin Hall conductivity is straightforwardly obtained irrespective of the non-Abelian nature in its Berry curvature. Moreover, the method can be extended to the description of real observables in nonequilibrium states of topological materials.

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Language(s): eng - English
 Dates: 2018-10-102019-02-142019-03-05
 Publication Status: Published in print
 Pages: 6
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: arXiv: 1809.07439
DOI: 10.1073/pnas.1816904116
 Degree: -

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Project name : We acknowledge financial support from the European Research Council (ERC-2015-AdG-694097) and Grupos Consolidados Universidad del País Vasco/Euskal Herriko Unibertsitatea (UPV/EHU) (IT578-13). The Flatiron Institute is a division of the Simons Foundation. S.A.S. gratefully acknowledges the support from the Alexander von Humboldt Foundation. D.S. and N.P. acknowledge the support from the National Research Foundation of Korea (NRF) through the Basic Research Laboratory (NRF-2017R1A4A1015323) and the Basic Science Research Program (NRF-2016R1D1A1B03931542).
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Title: Proceedings of the National Academy of Sciences of the United States of America
  Other : Proc. Acad. Sci. USA
  Other : Proc. Acad. Sci. U.S.A.
  Other : Proceedings of the National Academy of Sciences of the USA
  Abbreviation : PNAS
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Washington, D.C. : National Academy of Sciences
Pages: 6 Volume / Issue: 116 (10) Sequence Number: - Start / End Page: 4135 - 4140 Identifier: ISSN: 0027-8424
CoNE: https://pure.mpg.de/cone/journals/resource/954925427230