Tuning the electronic and magnetic properties of 2D g-GaN by H adsorption: An ab-initio study

We have theoretically studied the structural, electronic and magnetic properties of the hydrogen adsorption on a honeycomb gallium-nitride two-dimensional monolayer (2D g-GaN). Results indicate that the band gap energy can be systematically tuned by the hydrogen coverage on the 2D g-GaN in the diluted limit. In addition, a total magnetic moment can be induced in the 2D g-GaN by hydrogen adsorption due to s-p interaction and band structure effects. Although hydrogen adsorption on top of nitrogen atoms shows the most stable energy in the 2D g-GaN, the most stable ferromagnetism -with a nonzero magnetic moment-is obtained when hydrogen is adsorbed on top of Ga atoms. These results indicate that H adatoms on the 2D g-GaN systems could be a potential candidate for future spintronic applications.

• Autores: González-Ariza, R.; Martínez-Castro, O.; Moreno-Armenta, María G.; Gonzalez-Garcia, A.; Lopez-Perez, W.; Gonzalez-Hernandez, R.
• Tipo de recurso: Article of journal
• Fecha de publicación: 2019
• Institución: Corporación Universidad de la Costa
• Repositorio: REDICUC - Repositorio CUC
• Idioma: eng
• OAI Identifier: oai:repositorio.cuc.edu.co:11323/4941
• Acceso en línea: https://hdl.handle.net/11323/4941; https://repositorio.cuc.edu.co/
• Rights: openAccess
• License: CC0 1.0 Universal