Artikel: Strong Substrate Strain Effects in Multilayered WS₂ Revealed by High-Pressure Optical Measurements
ACS applied materials & interfaces. 2022 Apr. 20, v. 14, no. 17
2022
Abstract: The optical properties of two-dimensional materials can be effectively tuned by strain induced from a deformable substrate. In the present work we combine first-principles calculations based on density functional theory and the effective Bethe–Salpeter ... ...
Abstract | The optical properties of two-dimensional materials can be effectively tuned by strain induced from a deformable substrate. In the present work we combine first-principles calculations based on density functional theory and the effective Bethe–Salpeter equation with high-pressure optical measurements to thoroughly describe the effect of strain and dielectric environment onto the electronic band structure and optical properties of a few-layered transition-metal dichalcogenide. Our results show that WS₂ remains fully adhered to the substrate at least up to a −0.6% in-plane compressive strain for a wide range of substrate materials. We provide a useful model to describe effect of strain on the optical gap energy. The corresponding experimentally determined out-of-plane and in-plane stress gauge factors for WS₂ monolayers are −8 and 24 meV/GPa, respectively. The exceptionally large in-plane gauge factor confirms transition metal dichalcogenides as very promising candidates for flexible functionalities. Finally, we discuss the pressure evolution of an optical transition closely lying to the A exciton for bulk WS₂ as well as the direct-to-indirect transition of the monolayer upon compression. |
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Schlagwörter | compression strength ; density functional theory ; energy ; equations ; models |
Sprache | Englisch |
Erscheinungsverlauf | 2022-0420 |
Umfang | p. 19857-19868. |
Erscheinungsort | American Chemical Society |
Dokumenttyp | Artikel |
ISSN | 1944-8252 |
DOI | 10.1021/acsami.2c01726 |
Datenquelle | NAL Katalog (AGRICOLA) |
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