Study of electronic properties of graphene device with vacancy cluster defects: A first principles approach

作者：Nayebi Payman; Zaminpayma Esmaeil; Emami Razavi Mohsen^*

来源：Thin Solid Films, 2018, 660: 521-528.

DOI：10.1016/j.tsf.2018.06.047

• Graphene
• Vacancy defects
• Electronic properties
• Density functional theory

The discovery of graphene has produced new ideas for the description of several graphene devices with the potential to improve, for examples, solar cells, advanced sensors and communication systems. In the present work we use density functional calculations in order to investigate the electronic properties of zigzag and armchair edge graphene device with H-type and ZZ-type of vacancy cluster defects (these defects are defined and illustrated in the paper). The calculations show that the bond length for relaxed graphene is 1.42 #x212B; while for zigzag graphene with H-type and ZZ-type of defects the bond lengths are about 1.40 #x212B; and 1.38 #x212B;, respectively. Moreover, for the H-type and ZZ-type of defects, the arrangement of atoms suggests nearly sp(2) and sp. bonding, respectively. The nonlinear behavior of current-voltage curve for graphene with H-type and ZZ-type of defects is studied and different results are discussed. Furthermore, the transmission probability and density of states for pristine graphene and graphene with H-type and ZZ-type of vacancy defects have been presented. Finally, the armchair graphene devices with H-type and ZZ-type of vacancy defects show the same behavior as the zigzag graphene with H- and ZZ-type of defects.

• 出版日期2018-8-30