{"paper":{"title":"Structure and lattice dynamics of the wide band gap semiconductors MgSiN$_{2}$ and MgGeN$_{2}$","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"J. B. Quirk, M. A. Moram, M. R{\\aa}sander, R. Davies, R. Palgrave, S. Mathew, T. Wang","submitted_at":"2017-05-03T17:19:22Z","abstract_excerpt":"We have determined the structural and lattice dynamical properties of the orthorhombic, wide band gap semiconductors MgSiN$_{2}$ and MgGeN$_{2}$ using density functional theory. In addition, we present structural properties and Raman spectra of a MgSiN$_{2}$ powder. The structural properties and lattice dynamics of the orthorhombic systems are compared to wurtzite AlN. We find clear differences in the lattice dynamics between MgSiN$_{2}$, MgGeN$_{2}$ and AlN, for example we find that the highest phonon frequency in MgSiN$_{2}$ is about 100~cm$^{-1}$ higher than the highest frequency in AlN and"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1705.01515","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"}