Band gap modulation in γ-graphyne by p-n codoping. (30th August 2016)

• Record Type: Journal Article
• Authors: Deng, Xiaohui; Zeng, Jing; Si, Mingsu; Lu, Wei
• Is Part Of: Europhysics letters. Volume 115:Number 2(2016:Jul.)
• Publication Date: 2016-08-30
• Subjects: 73.20.At -- 81.05.U- -- 71.15.Mb; Physics -- Periodicals; Electronic journals; 530.05
• DOI: 10.1209/0295-5075/115/27009
• Languages: English
• ISSNs: 0295-5075

Abstract

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.