Novel wide spectrum light absorber heterostructures based on hBN/In(Ga)Te

Area of Science:

• Materials Science
• Condensed Matter Physics
• Nanotechnology

Background:

• Two-dimensional group III monochalcogenides exhibit promising optical and electrical properties for optoelectronics.
• Pristine monochalcogenides are highly sensitive to environmental degradation, necessitating protective measures.

Purpose of the Study:

• To model and investigate novel van der Waals (vdW) heterostructures using hexagonal boron nitride (hBN) and GaTe or InTe monolayers.
• To explore the electronic and optical characteristics of these designed vdW heterostructures.

Main Methods:

• Density functional theory (DFT) calculations were employed to study the electronic and optical properties.
• Analysis of band gap, absorption coefficient, and binding energies for various stacking configurations.

Main Results:

• The hBN/GaTe and hBN/InTe heterostructures possess a moderate band gap and excellent absorption coefficients across the IR to UV spectrum.
• The hBN layer enhances optical properties, particularly UV absorption, and protects the sensitive monochalcogenide layers.
• Calculated binding energies confirm the experimental feasibility of different stacking types, with H-top being preferred.

Conclusions:

• The designed hBN-based heterostructures are promising for broad-spectrum optoelectronic applications due to their enhanced optical properties and stability.
• Stacking configuration has a negligible impact on the electronic and optical properties of these heterostructures.