Ultrastrong Coupling between Polar Distortion and Optical Properties in Ferroelectric MoBr₂O₂

Autor(en)

Zhaojun Li, Lorenzo Varrassi, Yali Yang, Cesare Franchini, Laurent Bellaiche, Jiangang He

Abstrakt

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(en)

Computergestützte Materialphysik

Externe Organisation(en)

University of Science and Technology Beijing, Università di Bologna, University of Arkansas, Fayetteville

Journal

Journal of the American Chemical Society

Band

146

Seiten

15411–15419

Anzahl der Seiten

9

ISSN

0002-7863

DOI

https://doi.org/10.48550/arXiv.2402.15949

Publikationsdatum

05-2024

Peer-reviewed

Ja

ÖFOS 2012

103018 Materialphysik

ASJC Scopus Sachgebiete

Catalysis, Allgemeine Chemie, Biochemistry, Colloid and Surface Chemistry

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/6c31a320-54ac-43d2-95f6-d24db5b7b01b