Idioma:

Electronic and Optical Properties of O-Terminated Armchair Graphene Nanoribbons

Lu, Dao-bang ; Luo, Chang-geng ; Song, Yu-ling ; Pan, Qun-na ; Pu, Chun-ying

Chinese journal of chemical physics, 2016-04, Vol.29 (2), p.205-211 [Periódico revisado por pares]

Sem texto completo

Citações Citado por

Título:
Electronic and Optical Properties of O-Terminated Armchair Graphene Nanoribbons
Autor: Lu, Dao-bang ; Luo, Chang-geng ; Song, Yu-ling ; Pan, Qun-na ; Pu, Chun-ying
É parte de: Chinese journal of chemical physics, 2016-04, Vol.29 (2), p.205-211
Descrição: The structure, electromagnetic and optical properties of the O-terminated graphene nanoribbons with armchair edge are studied using first-principles theory. The results show that the O-terminated armchair edge are more stable than the H-terminated ribbons and show metallic character. Spin-polarized calculations reveal that the antiferromagnetic state are more stable than the ferromagnetic state. The energy band and density of states analyses show that the O-terminated armchair edge are antiferromagnetic semiconductors. Because of the terminated O atoms, the dielectric function has an evident red shift and the first peak is the strongest with its main contribution derived from the highest valence band. The peaks of the dielectric function, reflection, absorption, energy loss are related to the transition of electrons. Our results suggest that the O-terminated graphene nanoribbons have potential applications in nanoelectronics, opto-electric devices.
Editor: College of Physics and Electronic Engineering,Nanyang Normal University,Nanyang 473061,China
Idioma: Inglês

Voltar para lista de resultados