Regensburg 2022 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 25: Topological Semimetals
TT 25.4: Vortrag
Donnerstag, 8. September 2022, 10:30–10:45, H3
Ab initio study of nonlinear optical effects on the Weyl semimetal TaIrTe4 — •Álvaro Ruiz Puente1, Ivo Souza1,2, Stepan S. Tsirkin3, and Julen Ibañez-Azpiroz1,2 — 1Centro de Física de Materiales, Universidad del País Vasco, 20018 Donostia-San Sebastián, Spain — 2Ikerbasque Foundation, 48013 Bilbao, Spain — 3Department of Physics, University of Zurich, Winterthurerstrasse 190, 8057 Zurich, Switzerland
We investigate the bulk photovoltaic effect (BPE), which describes a d.c. nonlinear photocurrent taking place in crystals lacking inversion symmetry. TaIrTe4 is a type II Weyl semimetal displaying such a large d.c. response [1]. In this work we use nonlinear response theory to address the optical properties of the solid and isolate the contribution of the Weyl points to it, calculating the 2nd order shift [2] and 3rd order jerk [3] current contributions. Our analysis relies on a Wannier-interpolation scheme built over ab initio calculations. We put our theoretical calculations in context with the experimentally measured data, since these effects are expected to account for the measured photocurrent.
Funding provided by the European Union’s Horizon 2020 research and innovation programme under the European Research Council (ERC) grant agreement No 946629.
[1] J. Ma et al., Nat. Mater. 18, 476 (2019)
[2] J. Ibañez-Azpiroz, S. S. Tsirkin, I. Souza, Phys. Rev. B 97, 245143 (2018)
[3] B. M. Fregoso, R. A. Muniz, J. E. Sipe, Phys. Rev. Lett. 121, 176604 (2018)