Structural phase transition and bandgap control through mechanical deformation in layered semiconductors 1T–ZrX2 (X = S, Se)

Martino, Edoardo; Santos-Cottin, David; Le Mardelé, Florian; Semeniuk, Konstantin; Pizzochero, Michele; Čerņevičs, Kristia̅ns; Baptiste, Benoît; Delbes, Ludovic; Klotz, Stefan; Capitani, Francesco; Berger, Helmuth; Yazyev, Oleg V.; Akrap, Ana

doi:10.1021/acsmaterialslett.0c00252

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Structural phase transition and bandgap control through mechanical deformation in layered semiconductors 1T–ZrX2 (X = S, Se)

Martino, Edoardo Institute of Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland
Santos-Cottin, David Department of Physics, University of Fribourg, CH-1700 Fribourg, Switzerland
Le Mardelé, Florian Department of Physics, University of Fribourg, CH-1700 Fribourg, Switzerland
Semeniuk, Konstantin Institute of Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland
Pizzochero, Michele Institute of Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland
Čerņevičs, Kristia̅ns Institute of Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland
Baptiste, Benoît Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Sorbonne University, CNRS UMR 7590, IMPMC, F-75005, Paris, France
Delbes, Ludovic Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Sorbonne University, CNRS UMR 7590, IMPMC, F-75005, Paris, France
Klotz, Stefan Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Sorbonne University, CNRS UMR 7590, IMPMC, F-75005, Paris, France
Capitani, Francesco Synchrotron-SOLEIL, Saint-Aubin, BP48, F-91192 Gif-sur-Yvette Cedex, France
Berger, Helmuth Institute of Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland
Yazyev, Oleg V. Institute of Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland
Akrap, Ana Department of Physics, University of Fribourg, CH-1700 Fribourg, Switzerland

08.09.2020

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ACS Materials Letters. - 2020, vol. 2, no. 9, p. 1115–1120

English Applying elastic deformation can tune a material’s physical properties locally and reversibly. Spatially modulated lattice deformation can create a bandgap gradient, favoring photogenerated charge separation and collection in optoelectronic devices. These advantages are hindered by the maximum elastic strain that a material can withstand before breaking. Nanomaterials derived by exfoliating transition metal dichalcogenides (TMDs) are an ideal playground for elastic deformation, as they can sustain large elastic strains, up to a few percent. However, exfoliable TMDs with highly strain-tunable properties have proven challenging for researchers to identify. We investigated 1T-ZrS2 and 1T-ZrSe2, exfoliable semiconductors with large bandgaps. Under compressive deformation, both TMDs dramatically change their physical properties. 1T-ZrSe2 undergoes a reversible transformation into an exotic three- dimensional lattice, with a semiconductor-to-metal transition. In ZrS2, the irreversible transformation between two different layered structures is accompanied by a sudden 14% bandgap reduction. These results establish that Zr-based TMDs are an optimal strain-tunable platform for spatially textured bandgaps, with a strong potential for novel optoelectronic devices and light harvesting.

Faculty

Faculté des sciences et de médecine

Department

Département de Physique

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