@article{gonzalez-hernandez_topological_2020,
abstract = {Using topological band theory analysis we show that the nonsymmorphic symmetry operations in hexagonal lattices enforce Weyl points at the screw-invariant high-symmetry lines of the band structure. The corepresentation theory and connectivity group theory show that Weyl points are generated by band crossings in accordion-like and hourglass-like dispersion relations. These Weyl points are stable against weak perturbations and are protected by the screw rotation symmetry. Based on first-principles calculations we found a complete agreement between the topological predicted energy dispersion relations and real hexagonal materials. Topological charge (chirality) and Berry curvature calculations show the simultaneous formation of Weyl points and nodal-lines in 4d transition-metal trifluorides such as {AgF}3 and {AuF}3. Furthermore, a large intrinsic spin-Hall conductivity was found due to the combined strong spin-orbit coupling and multiple Weyl-point crossings in the electronic structure. These materials could be used to the spin/charge conversion in more energy-efficient spintronic devices.},
author = {González-Hernández, Rafael and Tuiran, Erick and Uribe, Bernardo},
date = {2020-05-06},
eprint = {2005.02959},
eprinttype = {arxiv},
journaltitle = {{arXiv}:2005.02959 [cond-mat]},
keywords = {1 - Material science, 1 - Mesoscale physics, 1 - Nanoscale physics, 2 - Berry curvature, 2 - Chirality, 2 - Topological band theory, 2 - Topological charge},
title = {Topological electronic structure and Weyl points in nonsymmorphic hexagonal materials},
url = {http://arxiv.org/abs/2005.02959},
urldate = {2020-05-12}
}