6533b824fe1ef96bd127fef6

RESEARCH PRODUCT

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

Alvaro González-garcíaWilliam López-pérezR. González-arizaO. Martinez-castroMaría G. Moreno-armentaRafael González-hernándezRafael González-hernández

subject

010302 applied physicsMaterials scienceHydrogenSpintronicsMagnetic momentBand gapAb initiochemistry.chemical_element02 engineering and technology021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesElectronic Optical and Magnetic MaterialsAdsorptionchemistryFerromagnetismChemical physics0103 physical sciencesElectrical and Electronic Engineering0210 nano-technologyElectronic band structure

description

Abstract 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.

yearjournalcountryeditionlanguage
2019-09-01Physica B: Condensed Matter
https://doi.org/10.1016/j.physb.2019.05.041