Electronic structure and optical properties of Graphene Monoxide

The electronic and optical properties of graphene monoxide, a new type of semiconductor materials, are first theoretically studied based on density functional theory. Electronic calculations show that the band gap is 0.952 eV which indicate that graphene monoxide is a direct band gap semiconductor....

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Bibliographic Details
Published inarXiv.org
Main Authors Yang, Gui, Zhang, Yufeng, Xunwang Yan
Format Paper
LanguageEnglish
Published Ithaca Cornell University Library, arXiv.org 04.09.2012
Subjects
Absorptivity
Band gap
Density functional theory
Density of states
Dielectric properties
Electronic structure
Energy gap
Graphene
Mathematical analysis
Optical properties
Optoelectronic devices
Refractivity
Semiconductor materials
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Summary:The electronic and optical properties of graphene monoxide, a new type of semiconductor materials, are first theoretically studied based on density functional theory. Electronic calculations show that the band gap is 0.952 eV which indicate that graphene monoxide is a direct band gap semiconductor. The density of states of graphene monoxide and the partial density of states for C and O are given to understand the electronic structure. In addition, we calculate the optical properties of graphene monoxide including the complex dielectric function, absorption coefficient, the complex refractive index, loss-function, reflectivity and conductivity. These results provide a physical basis for the potential applications in optoelectronic devices.
ISSN:2331-8422