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Title: Energy-gap opening and quenching in graphene under periodic external potentials
Authors: Zhang, A. 
Dai, Z. 
Shi, L.
Feng, Y.P. 
Zhang, C. 
Issue Date: 14-Dec-2010
Citation: Zhang, A., Dai, Z., Shi, L., Feng, Y.P., Zhang, C. (2010-12-14). Energy-gap opening and quenching in graphene under periodic external potentials. Journal of Chemical Physics 133 (22) : -. ScholarBank@NUS Repository.
Abstract: We investigated the effects of periodic external potentials on properties of charge carriers in graphene using both the first-principles method based on density functional theory (DFT) and a theoretical approach based on a generalized effective spinor Hamiltonian. DFT calculations were done in a modified Kohn-Sham procedure that includes the effects of the periodic external potential. Unexpected energy band gap opening and quenching were predicted for the graphene superlattice with two symmetrical sublattices and those with two unsymmetrical sublattices, respectively. Theoretical analysis based on the spinor Hamiltonian showed that the correlations between pseudospins of Dirac fermions in graphene and the applied external potential, and the potential-induced intervalley scattering, play important roles in energy-gap opening and quenching. © 2010 American Institute of Physics.
Source Title: Journal of Chemical Physics
ISSN: 00219606
DOI: 10.1063/1.3511782
Appears in Collections:Staff Publications

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