Density functional theory study on electrical properties of graphyne propane under tension and compression deformation

Based on the first-principles of density functional theory, this paper systematically studied the effect of tensile and compression deformation on the electrical properties of graphyne. The study show that the graphyne has an direct and adjustable band gap under deformation. Under uniaxial deformati...

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Hlavní autoři:	Lin Wei, Guili Liu, Guoying Zhang
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	IOP Publishing 2020-01-01
Edice:	Materials Research Express
Témata:	graphyne tensile and compression deformation electronic structure
On-line přístup:	https://doi.org/10.1088/2053-1591/ab6375
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