{"paper":{"title":"Half-metallicity versus Symmetry in Pt, Ni and Co-based Half Heusler Alloys: A First-principles Calculation","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Aparna Chakrabarti, Madhusmita Baral","submitted_at":"2017-01-28T11:28:07Z","abstract_excerpt":"Using first principles calculations based on density functional theory, we study the geometric, electronic, and magnetic properties of Pt, Ni and Co-based half Heusler alloys, namely, Pt$BC$, Ni$BC$ and Co$BC$ ($B$ = Cr, Mn and Fe; $C$ = Al, Si, P, S, Ga, Ge, As, Se, In, Sn, Sb and Te). We calculate the formation energy of these alloys in various crystal symmetries, which include, the (face-centered) cubic $C1_{b}$ ($F\\bar{4}$3m), orthorhombic ($Pnma$), as well as hexagonal ($P\\bar{6}2m$ and $P6_{3}/mmc$) structures. It has been observed that out of all the 108 structures, studied here, energe"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1701.08282","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"}