English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT

Released

Journal Article

Comprehensive scan for nonmagnetic Weyl semimetals with nonlinear optical response

MPS-Authors
/persons/resource/persons221626

Xu,  Qiunan
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons203664

Zhang,  Yang
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons198798

Shi,  Wujun
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126601

Felser,  Claudia
Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons179670

Sun,  Yan
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

External Resource
No external resources are shared
Fulltext (public)

Xu_Comprehensive.pdf
(Publisher version), 3MB

Supplementary Material (public)
There is no public supplementary material available
Citation

Xu, Q., Zhang, Y., Koepernik, K., Shi, W., van den Brink, J., Felser, C., et al. (2020). Comprehensive scan for nonmagnetic Weyl semimetals with nonlinear optical response. npj Computational Materials, 6: 32, pp. 1-7. doi:10.1038/s41524-020-0301-1.


Cite as: http://hdl.handle.net/21.11116/0000-0006-4DB9-4
Abstract
First-principles calculations have recently been used to develop comprehensive databases of nonmagnetic topological materials that are protected by time-reversal or crystalline symmetry. However, owing to the low symmetry requirement of Weyl points, a symmetry-based approach to identifying topological states cannot be applied to Weyl semimetals (WSMs). To date, WSMs with Weyl points in arbitrary positions are absent from the well-known databases. In this work, we develop an efficient algorithm to search for Weyl points automatically and establish a database of nonmagnetic WSMs with Weyl points near the Fermi level based on the experimental non-centrosymmetric crystal structures in the Inorganic Crystal Structure Database (ICSD). In total, 46 Weyl semimetals were discovered to have nearly clean Fermi surfaces and Weyl points within 300 meV of the Fermi level. Nine of them are chiral structures which may exhibit the quantized circular photogalvanic effect. In addition, the nonlinear optical response is studied and the giant shift current is explored. Besides nonmagnetic WSMs, our powerful tools can also be used in the discovery of magnetic topological materials. © 2020, The Author(s).