biostudies-literatureWen XThis work is sponsored by the Special Project of Yili Normal University to Improve the Comprehensive Strength of the Discipline (Grant No. 22XKZY17); and the National Natural Science Foundation of China (Grant No. 11774148).1331https://www.ebi.ac.uk/biostudies/studies/S-EPMC12430650biostudies-literatureUnknown15(17)The electronic and magnetic properties of lanthanide-doped GaN monolayers (Ln = La, Pr, Nd, Pm, Eu, and Gd) have been systematically investigated using density functional theory within the GGA-PBE approximation. Our results demonstrate that all Ln dopants except La introduce spin polarization and half-semiconductor behavior into the GaN monolayer. The observed magnetism primarily arises from unpaired 4f electrons, yielding magnetic moments of 2.0, 3.0, 4.0, 6.0, and 7.0 μ_B for Pr, Nd, Pm, Eu, and Gd, respectively. While La-, Pr-, and Gd-doped systems retain the indirect band gap characteristic of pristine GaN, an indirect-to-direct band gap transition occurs under biaxial tensile strains exceeding 2%. In contrast, Nd, Pm, and Eu doping directly induce a direct band gap without aNanomaterials (Basel, Switzerland)Tuning of the Electronic and Magnetic Properties of GaN Monolayers via Doping with Lanthanide Atoms and by Applying Biaxial Strain.PMC12430650(Grant No. 22XKZY17) and Grant No. 11774148Wen XLu HZhang LLei BfalseTuning of the Electronic and Magnetic Properties of GaN Monolayers via Doping with Lanthanide Atoms and by Applying Biaxial Strain.The electronic and magnetic properties of lanthanide-doped GaN monolayers (Ln = La, Pr, Nd, Pm, Eu, and Gd) have been systematically investigated using density functional theory within the GGA-PBE approximation. Our results demonstrate that all Ln dopants except La introduce spin polarization and half-semiconductor behavior into the GaN monolayer. The observed magnetism primarily arises from unpaired 4f electrons, yielding magnetic moments of 2.0, 3.0, 4.0, 6.0, and 7.0 μ_B for Pr, Nd, Pm, Eu, and Gd, respectively. While La-, Pr-, and Gd-doped systems retain the indirect band gap characteristic of pristine GaN, an indirect-to-direct band gap transition occurs under biaxial tensile strains exceeding 2%. In contrast, Nd, Pm, and Eu doping directly induce a direct band gap without a2025-01-01T00:00:00Z2025 Aug2026-04-08T19:50:55.183Z2026-04-08T14:33:51.08ZS-EPMC124306504093801010.3390/nano15171331