Stability and Optoelectronic Properties of Two-Dimensional Gallium Phosphide

Overview

Journal ACS Omega

Publisher American Chemical Society

Specialty Chemistry

Date 2024 Aug 26

PMID 39184476

Authors

Elisangela da Silva Barboza

Kessia L M Cruz

Ramon S Ferreira

Alexandre C Dias

Erika N Lima

Diego R da Costa

Teldo A S Pereira

Affiliations

Soon will be listed here.

Abstract

Using first-principles calculations, density functional theory, and the tight-binding method, we investigate the optoelectronic properties of two-dimensional gallium phosphide (2D GaP). Our investigation covers electronic properties, such as band structure and electronic band gap, and optical properties, including absorption spectra, refractive index, and reflectivity, considering excitonic effects. Additionally, structural aspects such as stability, elastic properties, and Raman and infrared spectra are also analyzed. This comprehensive study brings up valuable insights into 2D GaP physics, evincing the key features that make it a potential material for optoelectronic applications, such as photodetectors and solar cells.

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