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

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‚ÄČeV. 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.
Authors:
;  [1]
  1. Department of Materials Science and Engineering, Cornell University, Ithaca, New York 14853 (United States)
Publication Date:
OSTI Identifier:
22254028
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 103; Journal Issue: 21; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; CADMIUM OXIDES; DIELECTRIC MATERIALS; ELECTRONIC EQUIPMENT; FORMATION HEAT; GRAPHENE; OPTICAL PROPERTIES; SEMICONDUCTOR MATERIALS