Journal
APPLIED PHYSICS LETTERS
Volume 103, Issue 21, Pages -Publisher
AIP Publishing
DOI: 10.1063/1.4831972
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Funding
- NSF through the Cornell Center for Materials Research [DMR-1120296]
- CAREER [DMR-1056587]
- Texas Advanced Computing Center [TG-DMR050028N]
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [1056587, 1542776] Funding Source: National Science Foundation
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The search for single-layer materials is an active research field. Using a first-principles design approach focusing on formation energy and bandgap, we search the family of II-VI oxides for metastable single-layer semiconductor materials. We discover a single-layer CdO phase that exhibits a small formation energy and a direct bandgap of 2.1 eV. The phonon spectrum confirms the dynamical stability of single-layer CdO. Calculations of the optical properties show a similar absorption to that of graphene. Estimates of the tunneling barrier of a graphene/CdO/graphene heterostructure reveal that CdO might be a potential dielectric for applications of graphene in electronic devices. (C) 2013 AIP Publishing LLC.
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