Ab initio study of the nonlinear optical properties and dc photocurrent of the Weyl semimetal TaIrTe4

We present a first-principles theoretical study employing nonlinear response theory to investigate the dc 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...

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Detalles Bibliográficos
Autores: Puente-Uriona, Álvaro R., Tsirkin, Stepan S., Souza, Ivo, Ibañez-Azpiroz, Julen
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2023
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/351264
Acceso en línea:http://hdl.handle.net/10261/351264
Access Level:acceso abierto
Descripción
Sumario:We present a first-principles theoretical study employing nonlinear response theory to investigate the dc 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 al., 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.