Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/62256
Title: Band gap modulation in γ-graphyne by p-n codoping
Authors: Deng, X
Zeng, J
Si, M
Lu, W
Issue Date: 2016
Publisher: EDP Sciences
Source: EPL : a letters journal exploring the frontiers of physics, 2016, v. 115, no. 2, 27009 How to cite?
Journal: EPL : a letters journal exploring the frontiers of physics 
Abstract: The modulation of the band gap in the two-dimensional carbon materials is of importance for their applications as electronic devices. By first-principles calculations, we propose a model to control the band gap size of γ-graphyne. The model is named as p-n codoping, i.e., using B and N atoms to codope into γ-graphyne. After codoping, the B atom plays the role of p dopant and the N atom acts as n dopant. The Fermi energy level returns around the forbidden zone and the band gap of γ-graphyne becomes bigger or smaller. Moreover, the gaps exhibit an oscillating behaviour in the different codoping configurations. The proposed model serves as new insights for a better modulation of the electronic properties of 2D carbon materials.
URI: http://hdl.handle.net/10397/62256
ISSN: 0295-5075
EISSN: 1286-4854
DOI: 10.1209/0295-5075/115/27009
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