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arxiv 2402.15949 v1 pith:6FV645UK submitted 2024-02-25 cond-mat.mtrl-sci

Ultrastrong coupling between polar distortion and optical properties in ferroelectric MoBr₂O₂

classification cond-mat.mtrl-sci
keywords couplingachievingcontrolmaterialspropertiessingledistortionexhibits
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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Tuning the properties of materials using external stimuli is crucial for developing versatile smart materials. A strong coupling among order parameters within a single-phase material constitutes a potent foundation for achieving precise property control. However, cross-coupling is pretty weak in most single materials. Leveraging first principles calculations, we demonstrate the layered mixed anion compound MoBr$_2$O$_2$ 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, 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.

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