Ultrastrong Coupling between Polar Distortion and Optical Properties in Ferroelectric MoBr<sub>2</sub>O<sub>2</sub>
- Author(s)
- Zhaojun Li, Lorenzo Varrassi, Yali Yang, Cesare Franchini, Laurent Bellaiche, Jiangang He
- Abstract
Tuning the properties of materials by using external stimuli is crucial for developing versatile smart materials. Strong coupling among the order parameters within a single-phase material constitutes a potent foundation for achieving precise property control. However, cross-coupling is fairly weak in most single materials. Leveraging first-principles calculations, we demonstrate a layered mixed anion compound MoBr2O2 that exhibits electric-field switchable spontaneous polarization and ultrastrong coupling between polar distortion and electronic structures as well as optical properties. It offers feasible avenues of achieving tunable Rashba spin-splitting, electrochromism, thermochromism, photochromism, and nonlinear optics by applying an external electric field to a single domain sample and heating, as well as intense light illumination. Additionally, it exhibits an exceptionally large photostrictive effect. These findings not only showcase the feasibility of achieving multiple order parameter coupling within a single material but also pave the way for comprehensive applications based on property control, such as energy harvesting, information processing, and ultrafast control.
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- University of Science and Technology Beijing, University of Bologna, University of Arkansas, Fayetteville
- Journal
- Journal of the American Chemical Society
- Volume
- 146
- Pages
- 15411–15419
- No. of pages
- 9
- ISSN
- 0002-7863
- DOI
- https://doi.org/10.48550/arXiv.2402.15949
- Publication date
- 05-2024
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103018 Materials physics
- ASJC Scopus subject areas
- Catalysis, General Chemistry, Biochemistry, Colloid and Surface Chemistry
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/6c31a320-54ac-43d2-95f6-d24db5b7b01b