Hexagonal ABC Semiconductors as Ferroelectrics
| dc.contributor.author | Bennett, Joseph | |
| dc.contributor.author | Garrity, Kevin F. | |
| dc.contributor.author | Rabe, Karin M. | |
| dc.contributor.author | Vanderbilt, David | |
| dc.date.accessioned | 2026-02-03T18:15:17Z | |
| dc.date.issued | 2012-10-18 | |
| dc.description.abstract | We use a first-principles rational-design approach to identify a previously unrecognized class of ferroelectric materials in the P6₃mc LiGaGe structure type. We calculate structural parameters, polarization, and ferroelectric well depths both for reported and as-yet hypothetical representatives of this class. Our results provide guidance for the experimental realization and further investigation of high-performance materials suitable for practical applications. | |
| dc.description.sponsorship | This work was supported in part by ONR Grants No. N00014-09-1-0302 and No. N00014-05-1-0054. Calculations were carried out at the Center for Piezoelectrics by Design. We thank D. R. Hamann and R. Seshadri for useful discussions. K. M. R. thanks R. Seshadri for hospitality at UCSB and the Aspen Center for Physics (NSF Grant No. 1066293) where part of this work was carried out. | |
| dc.description.uri | https://link.aps.org/doi/10.1103/PhysRevLett.109.167602 | |
| dc.format.extent | 5 pages | |
| dc.genre | journal articles | |
| dc.identifier | doi:10.13016/m2ordk-go1b | |
| dc.identifier.citation | Bennett, Joseph W., Kevin F. Garrity, Karin M. Rabe, and David Vanderbilt. “Hexagonal ABC Semiconductors as Ferroelectrics.” Physical Review Letters 109, no. 16 (2012): 167602. https://doi.org/10.1103/PhysRevLett.109.167602. | |
| dc.identifier.uri | https://doi.org/10.1103/PhysRevLett.109.167602. | |
| dc.identifier.uri | http://hdl.handle.net/11603/41727 | |
| dc.language.iso | en | |
| dc.publisher | APS | |
| dc.relation.isAvailableAt | The University of Maryland, Baltimore County (UMBC) | |
| dc.relation.ispartof | UMBC Chemistry & Biochemistry Department | |
| dc.rights | Copyright 2012 American Physical Society | |
| dc.subject | UMBC High Performance Computing Facility (HPCF) | |
| dc.title | Hexagonal ABC Semiconductors as Ferroelectrics | |
| dc.type | Text | |
| dcterms.creator | https://orcid.org/0000-0002-7971-4772 |
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