摘要
The AA-stacked bilayer graphene/α-SiO2 （001） interfaces with Si terminated atoms are studied in the presence of an electric field F with different intensities by first principles. AA-stacked bilayer graphene is slightly mis-oriented on SiO2 substrate without electric field and the band gap is 0.557 eV. However, as F increases, the AA-stacked bilayer graphene has its layers gradually vertically shifted with each other and, finally, transfers into AB-stacked bilayer graphene and the band gap reduces to 0.252 eV under 0.015 Hartree.
The AA-stacked bilayer graphene/α-SiO2 （001） interfaces with Si terminated atoms are studied in the presence of an electric field F with different intensities by first principles. AA-stacked bilayer graphene is slightly mis-oriented on SiO2 substrate without electric field and the band gap is 0.557 eV. However, as F increases, the AA-stacked bilayer graphene has its layers gradually vertically shifted with each other and, finally, transfers into AB-stacked bilayer graphene and the band gap reduces to 0.252 eV under 0.015 Hartree.
基金
Project supported by the National Natural Science Foundation of China (Grant No.61176101)
the Ph.D. Programs Foundation of the Ministry of Education of China (Grant No.20120101120156)
the Fundamental Research Funds for the Central Universities,China (Grant No.2012FZA4016)
