Strain Tuning of the Anisotropy in the Optoelectronic Properties of TiS3

The benefits of two-dimensional (2D) materials for applications in nanotechnology can be widened by exploiting the intrinsic anisotropy of some of those crystals, being black phosphorus the most well-known example. In this work we demonstrate that the anisotropy of TiS3, which is even stronger than that of black phosphorus, can be tuned by means of strain engineering. Using density functional theory calculations, we find that the ellipticity of the valence band can be inverted under moderate compressive strain, which is accompanied by an enhancement of the optical absorption. It is shown that the strain tuning of the band anisotropy can be exploited to focus plasmons in the desired direction, a feature that could be used to design TiS3 nanostructures with switchable plasmon channeling.This work has received funding from the European Union’s Seventh Framework Programme (FP7/2007-2013) through the ERC Advanced Grant NOVGRAPHENE (GA No. 290846), European Commission under the Graphene Flagship, Contract CNECTICT-604391, the Spanish MINECO (through Grant Nos. FIS2015-64886-C5-4-P, FIS2014- 58445-JIN, Ramon y Cajal Program RYC-2016-20663, and ́ the Severo Ochoa Centers of Excellence Program under Grant SEV-2015-0496), and the Generalitat de Catalunya (2017SGR1506).Peer reviewe