{"paper":{"title":"Dimensional crossover and emergence of novel phases in puckered PdSe$_2$ under pressure","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Boby Joseph, Chumki Nayak, Kapildeb Dolui, Koushik Dey, Mainak Palit, Sanjoy Kr Mahatha, Soumik Das, Subhadeep Datta, Tanima Kundu","submitted_at":"2025-01-22T18:10:11Z","abstract_excerpt":"We investigate the pressure-driven structural and electronic evolution of PdSe\\(_2\\) using powder X-ray diffraction, Raman spectroscopy, and first-principles calculations. Beyond 2.3 GPa, suppression of the Jahn-Teller distortion induces in-plane lattice expansion and metallization. Around 4.8 GPa, the interlayer \\(d_{z^2}-\\pi^*\\) orbital hybridization drives the dimensional crossover, facilitating the transformation from the 2D distorted to a 3D undistorted pyrite phase. At $\\sim$ 9 GPa, a novel phase emerges, characterized by octahedral distortions in the $d$ orbitals of Pd. Structural analy"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2501.13057","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2501.13057/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"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"}