{"paper":{"title":"Mechanical, optoelectronic and transport properties of single-layer Ca2N and Sr2N electrides","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"physics.comp-ph","authors_text":"Bohayra Mortazavi, Golibjon R Berdiyorov, Masoud Shahrokhi, Timon Rabczuk","submitted_at":"2018-01-02T08:44:52Z","abstract_excerpt":"Electride materials offer attractive physical properties due to their loosely bound electrons. Ca2N, an electride in the two-dimensional (2D) form was successfully recently synthesized. We conducted extensive first-principles calculations to explore the mechanical, electronic, optical and transport response of single-layer and free-standing Ca2N and Sr2N electrides to external strain. We show that Ca2N and Sr2N sheets present isotropic elastic properties with positive Poisson's ratios, however, they yield around 50% higher tensile strength along the zigzag direction as compared with armchair. "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1801.01038","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"}