{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Wen X"],"funding":["This 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)."],"pagination":["1331"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12430650"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["15(17)"],"pubmed_abstract":["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<sub>B</sub> 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 a"],"journal":["Nanomaterials (Basel, Switzerland)"],"pubmed_title":["Tuning of the Electronic and Magnetic Properties of GaN Monolayers via Doping with Lanthanide Atoms and by Applying Biaxial Strain."],"pmcid":["PMC12430650"],"funding_grant_id":["(Grant No. 22XKZY17) and Grant No. 11774148"],"pubmed_authors":["Wen X","Lu H","Zhang L","Lei B"],"additional_accession":[]},"is_claimable":false,"name":"Tuning of the Electronic and Magnetic Properties of GaN Monolayers via Doping with Lanthanide Atoms and by Applying Biaxial Strain.","description":"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<sub>B</sub> 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 a","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Aug","modification":"2026-04-08T19:50:55.183Z","creation":"2026-04-08T14:33:51.08Z"},"accession":"S-EPMC12430650","cross_references":{"pubmed":["40938010"],"doi":["10.3390/nano15171331"]}}