Stability and Optoelectronic Properties of Two-Dimensional Gallium Phosphide
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.
Authors
- D. R. da Costa (ORCID: https://orcid.org/0000-0002-1335-9552)
- Elisangela da Silva Barboza (ORCID: https://orcid.org/0000-0002-7874-3344)
- T. A. S. Pereira (ORCID: https://orcid.org/0000-0001-7968-9194)
- Ramon S. Ferreira (ORCID: https://orcid.org/0000-0002-3421-6278)
- Alexandre C. Dias (ORCID: https://orcid.org/0000-0001-5934-8528)
- Erika N. Lima (ORCID: https://orcid.org/0000-0002-0670-9737)
- Kessia L. M. Cruz
Institutions
- University of Antwerp (BE)
- Universidade de Brasília (BR)
- Universidade Federal do Ceará (BR)
- Universidade Federal do Piauí (BR)
- Universidade Federal de Mato Grosso (BR)
- Brazilian Biosciences National Laboratory (BR)
Publication Details
- Journal
- ACS Omega
- Published
- 2024-08-09
- DOI
- https://doi.org/10.1021/acsomega.4c03861
- Citations
- 8
- Primary Topic
- 2D Materials and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.94
Funders
- Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
- Fonds Wetenschappelijk Onderzoek
- Conselho Nacional de Desenvolvimento Científico e Tecnológico
- Fundação de Amparo à Pesquisa do Estado do Piauí
- Fundação de Apoio à Pesquisa do Distrito Federal
- Universidade Federal do Rio de Janeiro
- Universidade Federal de Mato Grosso do Sul