4.7 Article

Stability and Bandgap Engineering of In1-xGaxSe Monolayer

Journal

NANOMATERIALS
Volume 12, Issue 3, Pages -

Publisher

MDPI
DOI: 10.3390/nano12030515

Keywords

beyond graphene; InSe; 2D materials; cluster expansion; kinetic Monte Carlo

Ask authors/readers for more resources

Bandgap engineering allows for the modification of electronic and optical properties of semiconductor materials, expanding their potential applications. By substituting In atoms with Ga atoms, the bandgap of layered InSe monolayer can be engineered, making it an excellent candidate for optoelectronics and photonics devices.
Bandgap engineering of semiconductor materials represents a crucial step for their employment in optoelectronics and photonics. It offers the opportunity to tailor their electronic and optical properties, increasing the degree of freedom in designing new devices and widening the range of their possible applications. Here, we report the bandgap engineering of a layered InSe monolayer, a superior electronic and optical material, by substituting In atoms with Ga atoms. We developed a theoretical understanding of In1-xGaxSe stability and electronic properties in its whole compositional range (x=0-1) through first-principles density functional theory calculations, the cluster expansion method, and kinetic Monte Carlo simulations. Our findings highlight the possibility of modulating the InGaSe bandgap by & AP;0.41 eV and reveal that this compound is an excellent candidate to be employed in many optoelectronic and photonic devices.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.7
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available