{"paper":{"title":"Ab initio calculations of structural and electronic properties of CdTe clusters","license":"","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Anjali Kshirsagar, Somesh Kr. Bhattacharya","submitted_at":"2006-04-12T11:49:24Z","abstract_excerpt":"We present results of a study of small stoichiometric $Cd_{n}Te_{n}$ ($1{\\leq}n{\\leq}6$) clusters and few medium sized non-stoichiometric $Cd_{m}Te_{n}$ [($m,n= 13, 16, 19$); ($m{\\neq}n$)] clusters using the Density Functional formalism and projector augmented wave method within the generalized gradient approximation. Structural properties\n {\\it viz.} geometry, bond length, symmetry and electronic properties like HOMO-LUMO gap, binding energy, ionization potential and nature of bonding {\\it etc.} have been analyzed. Medium sized non-stoichiometric clusters were considered as fragments of the b"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"cond-mat/0604309","kind":"arxiv","version":2},"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"}