{"paper":{"title":"Electrocaloric effect in BaTiO$_3$: a first-principles-based study on the effect of misfit strain","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Claude Ederer, Madhura Marathe","submitted_at":"2014-05-30T16:01:29Z","abstract_excerpt":"We address the question of how the electrocaloric effect in epitaxial thin films of the prototypical ferroelectric BaTiO$_3$ is affected by the clamping to the substrate and by substrate-induced misfit strain. We use molecular dynamics simulations and a first-principles-based effective Hamiltonian to calculate the adiabatic temperature change $\\Delta T$ under different epitaxial constraints. Our results demonstrate that, consistent with phenomenological theory, clamping by the substrate reduces the maximum $\\Delta T$ compared to bulk BaTiO$_3$. On the other hand, compressive misfit-strain lead"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1405.7901","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"}