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Strain-dependent anisotropic nonlinear optical response in two-dimensional functionalized MXene Sc2CT2 (T = O and OH)
Chuan He1, Qiyi Zhao, Yuanyuan Huang
1Shaanxi Joint Lab of Graphene, International Collaborative Center on Photoelectric Technology and Nano Functional Materials, Institute of Photonics & Photon-Technology, Northwest University, Xi'an 710069, China. xlxuphy@nwu.edu.cn.
Strain engineering tunable optical properties of two-dimensional (2D) MXene materials like Sc₂CT₂ are investigated. This research reveals broadband optical responses and tunable nonlinear optical coefficients, crucial for advanced optoelectronic devices.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Optoelectronics
Background:
- Tunable optical properties are vital for high-performance optoelectronic devices.
- Two-dimensional (2D) transition metal carbides and nitrides (MXenes) offer promising platforms for such applications.
Purpose of the Study:
- To investigate the strain-dependent linear and nonlinear optical properties of functionalized MXene monolayers, Sc₂CT₂ (T = O and OH).
- To explore the potential of strain engineering for tuning optical characteristics in MXene-based materials.
Main Methods:
- Computational investigation of Sc₂CT₂ (T = O and OH) monolayers under strain.
- Analysis of strain-dependent linear optical properties, including broadband response.
- Calculation of second-order nonlinear optical coefficients (d) and photoelastic coefficients.
- Examination of azimuthal angle-dependent second harmonic generation (SHG).
Main Results:
- Sc₂CT₂ monolayers exhibit broadband optical response due to geometry and orbital overlap.
- Strain engineering induces redshift (Sc₂CO₂) or blueshift (Sc₂C(OH)₂) in nonlinear optical coefficient peaks.
- Sc₂CO₂ shows a larger photoelastic coefficient (-1268 pm V⁻¹ %⁻¹) compared to Sc₂C(OH)₂ (-574 pm V⁻¹ %⁻¹) at 1% strain.
- Second harmonic generation is highly dependent on strain and pumping photon energy.
Conclusions:
- Strain engineering offers a powerful method to tune the optical properties of Sc₂CT₂ MXenes.
- The tunable, broadband, and anisotropic optical responses are beneficial for nonlinear optoelectronic device applications.
- This study provides a pathway for designing advanced MXene-based optoelectronic devices with tailored functionalities.
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