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arXiv · 2302.03090

Ab initio study of the nonlinear optical properties and d.c. photocurrent of the Weyl semimetal TaIrTe$_4$

Álvaro R. Puente-Uriona·Stepan S. Tsirkin·Ivo Souza·Julen Ibañez-Azpiroz
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Abstract

We present a first principles theoretical study employing nonlinear response theory to investigate the d.c. photocurrent generated by linearly polarized light in the type-II Weyl semimetal TaIrTe4. We report the low energy spectrum of several nonlinear optical effects. At second-order, we consider the shift and injection currents. Assuming the presence of a built-in static electric field, at third-order we study the current-induced shift and injection currents, as well as the jerk current. We discuss our results in the context of a recent experiment measuring an exceptionally large photoconductivity in this material [J. Ma et at., Nat. Mater. 18, 476 (2019)]. According to our results, the jerk current is the most likely origin of the large response. Finally, we propose means to discern the importance of the various mechanisms involved in a time-resolved experiment.

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Álvaro R. Puente-Uriona, Stepan S. Tsirkin, Ivo Souza, Julen Ibañez-Azpiroz. 2023-02-06. Ab initio study of the nonlinear optical properties and d.c. photocurrent of the Weyl semimetal TaIrTe$_4$. https://doi.org/10.1103/physrevb.107.205204

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