{"paper":{"title":"Study of morphology effects on magnetic interactions and band gap variations for 3$d$ late transition metal bi-doped ZnO nano structures by hybrid DFT calculations","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mes-hall","authors_text":"Abhijit Mookerjee, Gopi Chandra Kaphle, Sayan Baral, Soumendu Datta","submitted_at":"2015-12-25T07:35:34Z","abstract_excerpt":"Using density functional theory (DFT) based electronic structure calculations, the effects of morphology of semiconducting nano structures on the magnetic interaction between two magnetic dopant atoms as well as a possibility of tuning band gaps have been studied in case of the bi-doped (ZnO)$_{24}$ nano structures with the impurity dopant atoms of the 3$d$ late transition metals (TM) - Mn, Fe, Co, Ni and Cu. To explore the morphology effect, three different structures of the host (ZnO)$_{24}$ nano-system having different degrees of spatial confinement, have been considered : a two dimensional"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1512.07973","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}