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arXiv · 1311.5716

Energy-gap Opening and Quenching in Graphene under Periodic External Potentials

Aihua Zhang·Zhenxiang Dai·Lei Shi·Yuan Ping Feng·Chun Zhang
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Abstract

In this paper, 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 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.

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Aihua Zhang, Zhenxiang Dai, Lei Shi, Yuan Ping Feng, Chun Zhang. 2013-11-22. Energy-gap Opening and Quenching in Graphene under Periodic External Potentials. https://doi.org/10.1063/1.3511782

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