Comprehensive scan for nonmagnetic Weyl semimetals with nonlinear optical response

  title={Comprehensive scan for nonmagnetic Weyl semimetals with nonlinear optical response},
  author={Qiunan Xu and Yang Zhang and Klaus Koepernik and Wujun Shi and Jeroen van den Brink and Claudia Felser and Yan Sun},
  journal={npj Computational Materials},
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… 

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