Computational identification of single-layer CdO for electronic and optical applications

Houlong L. Zhuang, Richard G. Hennig

Research output: Contribution to journalArticlepeer-review

33 Scopus citations

Abstract

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.

Original languageEnglish (US)
Article number212102
JournalApplied Physics Letters
Volume103
Issue number21
DOIs
StatePublished - Nov 18 2013
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

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