Ultrastrong Coupling between Polar Distortion and Optical Properties in Ferroelectric MoBr2O2

Zhaojun Li, Lorenzo Varrassi, Yali Yang (Corresponding author), Cesare Franchini, Laurent Bellaiche, Jiangang He (Corresponding author)

Publications: Contribution to journalArticlePeer Reviewed

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.
Original languageEnglish
Pages (from-to)15411–15419
Number of pages9
JournalJournal of the American Chemical Society
Volume146
Issue number22
Early online date23 May 2024
DOIs
Publication statusPublished - 5 Jun 2024

Austrian Fields of Science 2012

  • 103018 Materials physics

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